BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Date of publication Date in BindingDB Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID PubChem SID ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence 1 PDB ID(s) of Target Chain 1 UniProt (SwissProt) Recommended Name of Target Chain 1 UniProt (SwissProt) Entry Name of Target Chain 1 UniProt (SwissProt) Primary ID of Target Chain 1 UniProt (SwissProt) Secondary ID(s) of Target Chain 1 UniProt (SwissProt) Alternative ID(s) of Target Chain 1 UniProt (TrEMBL) Submitted Name of Target Chain 1 UniProt (TrEMBL) Entry Name of Target Chain 1 UniProt (TrEMBL) Primary ID of Target Chain 1 UniProt (TrEMBL) Secondary ID(s) of Target Chain 1 UniProt (TrEMBL) Alternative ID(s) of Target Chain 1 BindingDB Target Chain Sequence 2 PDB ID(s) of Target Chain 2 UniProt (SwissProt) Recommended Name of Target Chain 2 UniProt (SwissProt) Entry Name of Target Chain 2 UniProt (SwissProt) Primary ID of Target Chain 2 UniProt (SwissProt) Secondary ID(s) of Target Chain 2 UniProt (SwissProt) Alternative ID(s) of Target Chain 2 UniProt (TrEMBL) Submitted Name of Target Chain 2 UniProt (TrEMBL) Entry Name of Target Chain 2 UniProt (TrEMBL) Primary ID of Target Chain 2 UniProt (TrEMBL) Secondary ID(s) of Target Chain 2 UniProt (TrEMBL) Alternative ID(s) of Target Chain 2 BindingDB Target Chain Sequence 3 PDB ID(s) of Target Chain 3 UniProt (SwissProt) Recommended Name of Target Chain 3 UniProt (SwissProt) Entry Name of Target Chain 3 UniProt (SwissProt) Primary ID of Target Chain 3 UniProt (SwissProt) Secondary ID(s) of Target Chain 3 UniProt (SwissProt) Alternative ID(s) of Target Chain 3 UniProt (TrEMBL) Submitted Name of Target Chain 3 UniProt (TrEMBL) Entry Name of Target Chain 3 UniProt (TrEMBL) Primary ID of Target Chain 3 UniProt (TrEMBL) Secondary ID(s) of Target Chain 3 UniProt (TrEMBL) Alternative ID(s) of Target Chain 3 BindingDB Target Chain Sequence 4 PDB ID(s) of Target Chain 4 UniProt (SwissProt) Recommended Name of Target Chain 4 UniProt (SwissProt) Entry Name of Target Chain 4 UniProt (SwissProt) Primary ID of Target Chain 4 UniProt (SwissProt) Secondary ID(s) of Target Chain 4 UniProt (SwissProt) Alternative ID(s) of Target Chain 4 UniProt (TrEMBL) Submitted Name of Target Chain 4 UniProt (TrEMBL) Entry Name of Target Chain 4 UniProt (TrEMBL) Primary ID of Target Chain 4 UniProt (TrEMBL) Secondary ID(s) of Target Chain 4 UniProt (TrEMBL) Alternative ID(s) of Target Chain 4 BindingDB Target Chain Sequence 5 PDB ID(s) of Target Chain 5 UniProt (SwissProt) Recommended Name of Target Chain 5 UniProt (SwissProt) Entry Name of Target Chain 5 UniProt (SwissProt) Primary ID of Target Chain 5 UniProt (SwissProt) Secondary ID(s) of Target Chain 5 UniProt (SwissProt) Alternative ID(s) of Target Chain 5 UniProt (TrEMBL) Submitted Name of Target Chain 5 UniProt (TrEMBL) Entry Name of Target Chain 5 UniProt (TrEMBL) Primary ID of Target Chain 5 UniProt (TrEMBL) Secondary ID(s) of Target Chain 5 UniProt (TrEMBL) Alternative ID(s) of Target Chain 5 BindingDB Target Chain Sequence 6 PDB ID(s) of Target Chain 6 UniProt (SwissProt) Recommended Name of Target Chain 6 UniProt (SwissProt) Entry Name of Target Chain 6 UniProt (SwissProt) Primary ID of Target Chain 6 UniProt (SwissProt) Secondary ID(s) of Target Chain 6 UniProt (SwissProt) Alternative ID(s) of Target Chain 6 UniProt (TrEMBL) Submitted Name of Target Chain 6 UniProt (TrEMBL) Entry Name of Target Chain 6 UniProt (TrEMBL) Primary ID of Target Chain 6 UniProt (TrEMBL) Secondary ID(s) of Target Chain 6 UniProt (TrEMBL) Alternative ID(s) of Target Chain 6 BindingDB Target Chain Sequence 7 PDB ID(s) of Target Chain 7 UniProt (SwissProt) Recommended Name of Target Chain 7 UniProt (SwissProt) Entry Name of Target Chain 7 UniProt (SwissProt) Primary ID of Target Chain 7 UniProt (SwissProt) Secondary ID(s) of Target Chain 7 UniProt (SwissProt) Alternative ID(s) of Target Chain 7 UniProt (TrEMBL) Submitted Name of Target Chain 7 UniProt (TrEMBL) Entry Name of Target Chain 7 UniProt (TrEMBL) Primary ID of Target Chain 7 UniProt (TrEMBL) Secondary ID(s) of Target Chain 7 UniProt (TrEMBL) Alternative ID(s) of Target Chain 7 BindingDB Target Chain Sequence 8 PDB ID(s) of Target Chain 8 UniProt (SwissProt) Recommended Name of Target Chain 8 UniProt (SwissProt) Entry Name of Target Chain 8 UniProt (SwissProt) Primary ID of Target Chain 8 UniProt (SwissProt) Secondary ID(s) of Target Chain 8 UniProt (SwissProt) Alternative ID(s) of Target Chain 8 UniProt (TrEMBL) Submitted Name of Target Chain 8 UniProt (TrEMBL) Entry Name of Target Chain 8 UniProt (TrEMBL) Primary ID of Target Chain 8 UniProt (TrEMBL) Secondary ID(s) of Target Chain 8 UniProt (TrEMBL) Alternative ID(s) of Target Chain 8 BindingDB Target Chain Sequence 9 PDB ID(s) of Target Chain 9 UniProt (SwissProt) Recommended Name of Target Chain 9 UniProt (SwissProt) Entry Name of Target Chain 9 UniProt (SwissProt) Primary ID of Target Chain 9 UniProt (SwissProt) Secondary ID(s) of Target Chain 9 UniProt (SwissProt) Alternative ID(s) of Target Chain 9 UniProt (TrEMBL) Submitted Name of Target Chain 9 UniProt (TrEMBL) Entry Name of Target Chain 9 UniProt (TrEMBL) Primary ID of Target Chain 9 UniProt (TrEMBL) Secondary ID(s) of Target Chain 9 UniProt (TrEMBL) Alternative ID(s) of Target Chain 9 BindingDB Target Chain Sequence 10 PDB ID(s) of Target Chain 10 UniProt (SwissProt) Recommended Name of Target Chain 10 UniProt (SwissProt) Entry Name of Target Chain 10 UniProt (SwissProt) Primary ID of Target Chain 10 UniProt (SwissProt) Secondary ID(s) of Target Chain 10 UniProt (SwissProt) Alternative ID(s) of Target Chain 10 UniProt (TrEMBL) Submitted Name of Target Chain 10 UniProt (TrEMBL) Entry Name of Target Chain 10 UniProt (TrEMBL) Primary ID of Target Chain 10 UniProt (TrEMBL) Secondary ID(s) of Target Chain 10 UniProt (TrEMBL) Alternative ID(s) of Target Chain 10 BindingDB Target Chain Sequence 11 PDB ID(s) of Target Chain 11 UniProt (SwissProt) Recommended Name of Target Chain 11 UniProt (SwissProt) Entry Name of Target Chain 11 UniProt (SwissProt) Primary ID of Target Chain 11 UniProt (SwissProt) Secondary ID(s) of Target Chain 11 UniProt (SwissProt) Alternative ID(s) of Target Chain 11 UniProt (TrEMBL) Submitted Name of Target Chain 11 UniProt (TrEMBL) Entry Name of Target Chain 11 UniProt (TrEMBL) Primary ID of Target Chain 11 UniProt (TrEMBL) Secondary ID(s) of Target Chain 11 UniProt (TrEMBL) Alternative ID(s) of Target Chain 11 BindingDB Target Chain Sequence 12 PDB ID(s) of Target Chain 12 UniProt (SwissProt) Recommended Name of Target Chain 12 UniProt (SwissProt) Entry Name of Target Chain 12 UniProt (SwissProt) Primary ID of Target Chain 12 UniProt (SwissProt) Secondary ID(s) of Target Chain 12 UniProt (SwissProt) Alternative ID(s) of Target Chain 12 UniProt (TrEMBL) Submitted Name of Target Chain 12 UniProt (TrEMBL) Entry Name of Target Chain 12 UniProt (TrEMBL) Primary ID of Target Chain 12 UniProt (TrEMBL) Secondary ID(s) of Target Chain 12 UniProt (TrEMBL) Alternative ID(s) of Target Chain 12 BindingDB Target Chain Sequence 13 PDB ID(s) of Target Chain 13 UniProt (SwissProt) Recommended Name of Target Chain 13 UniProt (SwissProt) Entry Name of Target Chain 13 UniProt (SwissProt) Primary ID of Target Chain 13 UniProt (SwissProt) Secondary ID(s) of Target Chain 13 UniProt (SwissProt) Alternative ID(s) of Target Chain 13 UniProt (TrEMBL) Submitted Name of Target Chain 13 UniProt (TrEMBL) Entry Name of Target Chain 13 UniProt (TrEMBL) Primary ID of Target Chain 13 UniProt (TrEMBL) Secondary ID(s) of Target Chain 13 UniProt (TrEMBL) Alternative ID(s) of Target Chain 13 BindingDB Target Chain Sequence 14 PDB ID(s) of Target Chain 14 UniProt (SwissProt) Recommended Name of Target Chain 14 UniProt (SwissProt) Entry Name of Target Chain 14 UniProt (SwissProt) Primary ID of Target Chain 14 UniProt (SwissProt) Secondary ID(s) of Target Chain 14 UniProt (SwissProt) Alternative ID(s) of Target Chain 14 UniProt (TrEMBL) Submitted Name of Target Chain 14 UniProt (TrEMBL) Entry Name of Target Chain 14 UniProt (TrEMBL) Primary ID of Target Chain 14 UniProt (TrEMBL) Secondary ID(s) of Target Chain 14 UniProt (TrEMBL) Alternative ID(s) of Target Chain 14 BindingDB Target Chain Sequence 15 PDB ID(s) of Target Chain 15 UniProt (SwissProt) Recommended Name of Target Chain 15 UniProt (SwissProt) Entry Name of Target Chain 15 UniProt (SwissProt) Primary ID of Target Chain 15 UniProt (SwissProt) Secondary ID(s) of Target Chain 15 UniProt (SwissProt) Alternative ID(s) of Target Chain 15 UniProt (TrEMBL) Submitted Name of Target Chain 15 UniProt (TrEMBL) Entry Name of Target Chain 15 UniProt (TrEMBL) Primary ID of Target Chain 15 UniProt (TrEMBL) Secondary ID(s) of Target Chain 15 UniProt (TrEMBL) Alternative ID(s) of Target Chain 15 BindingDB Target Chain Sequence 16 PDB ID(s) of Target Chain 16 UniProt (SwissProt) Recommended Name of Target Chain 16 UniProt (SwissProt) Entry Name of Target Chain 16 UniProt (SwissProt) Primary ID of Target Chain 16 UniProt (SwissProt) Secondary ID(s) of Target Chain 16 UniProt (SwissProt) Alternative ID(s) of Target Chain 16 UniProt (TrEMBL) Submitted Name of Target Chain 16 UniProt (TrEMBL) Entry Name of Target Chain 16 UniProt (TrEMBL) Primary ID of Target Chain 16 UniProt (TrEMBL) Secondary ID(s) of Target Chain 16 UniProt (TrEMBL) Alternative ID(s) of Target Chain 16 BindingDB Target Chain Sequence 17 PDB ID(s) of Target Chain 17 UniProt (SwissProt) Recommended Name of Target Chain 17 UniProt (SwissProt) Entry Name of Target Chain 17 UniProt (SwissProt) Primary ID of Target Chain 17 UniProt (SwissProt) Secondary ID(s) of Target Chain 17 UniProt (SwissProt) Alternative ID(s) of Target Chain 17 UniProt (TrEMBL) Submitted Name of Target Chain 17 UniProt (TrEMBL) Entry Name of Target Chain 17 UniProt (TrEMBL) Primary ID of Target Chain 17 UniProt (TrEMBL) Secondary ID(s) of Target Chain 17 UniProt (TrEMBL) Alternative ID(s) of Target Chain 17 BindingDB Target Chain Sequence 18 PDB ID(s) of Target Chain 18 UniProt (SwissProt) Recommended Name of Target Chain 18 UniProt (SwissProt) Entry Name of Target Chain 18 UniProt (SwissProt) Primary ID of Target Chain 18 UniProt (SwissProt) Secondary ID(s) of Target Chain 18 UniProt (SwissProt) Alternative ID(s) of Target Chain 18 UniProt (TrEMBL) Submitted Name of Target Chain 18 UniProt (TrEMBL) Entry Name of Target Chain 18 UniProt (TrEMBL) Primary ID of Target Chain 18 UniProt (TrEMBL) Secondary ID(s) of Target Chain 18 UniProt (TrEMBL) Alternative ID(s) of Target Chain 18 BindingDB Target Chain Sequence 19 PDB ID(s) of Target Chain 19 UniProt (SwissProt) Recommended Name of Target Chain 19 UniProt (SwissProt) Entry Name of Target Chain 19 UniProt (SwissProt) Primary ID of Target Chain 19 UniProt (SwissProt) Secondary ID(s) of Target Chain 19 UniProt (SwissProt) Alternative ID(s) of Target Chain 19 UniProt (TrEMBL) Submitted Name of Target Chain 19 UniProt (TrEMBL) Entry Name of Target Chain 19 UniProt (TrEMBL) Primary ID of Target Chain 19 UniProt (TrEMBL) Secondary ID(s) of Target Chain 19 UniProt (TrEMBL) Alternative ID(s) of Target Chain 19 BindingDB Target Chain Sequence 20 PDB ID(s) of Target Chain 20 UniProt (SwissProt) Recommended Name of Target Chain 20 UniProt (SwissProt) Entry Name of Target Chain 20 UniProt (SwissProt) Primary ID of Target Chain 20 UniProt (SwissProt) Secondary ID(s) of Target Chain 20 UniProt (SwissProt) Alternative ID(s) of Target Chain 20 UniProt (TrEMBL) Submitted Name of Target Chain 20 UniProt (TrEMBL) Entry Name of Target Chain 20 UniProt (TrEMBL) Primary ID of Target Chain 20 UniProt (TrEMBL) Secondary ID(s) of Target Chain 20 UniProt (TrEMBL) Alternative ID(s) of Target Chain 20 BindingDB Target Chain Sequence 21 PDB ID(s) of Target Chain 21 UniProt (SwissProt) Recommended Name of Target Chain 21 UniProt (SwissProt) Entry Name of Target Chain 21 UniProt (SwissProt) Primary ID of Target Chain 21 UniProt (SwissProt) Secondary ID(s) of Target Chain 21 UniProt (SwissProt) Alternative ID(s) of Target Chain 21 UniProt (TrEMBL) Submitted Name of Target Chain 21 UniProt (TrEMBL) Entry Name of Target Chain 21 UniProt (TrEMBL) Primary ID of Target Chain 21 UniProt (TrEMBL) Secondary ID(s) of Target Chain 21 UniProt (TrEMBL) Alternative ID(s) of Target Chain 21 BindingDB Target Chain Sequence 22 PDB ID(s) of Target Chain 22 UniProt (SwissProt) Recommended Name of Target Chain 22 UniProt (SwissProt) Entry Name of Target Chain 22 UniProt (SwissProt) Primary ID of Target Chain 22 UniProt (SwissProt) Secondary ID(s) of Target Chain 22 UniProt (SwissProt) Alternative ID(s) of Target Chain 22 UniProt (TrEMBL) Submitted Name of Target Chain 22 UniProt (TrEMBL) Entry Name of Target Chain 22 UniProt (TrEMBL) Primary ID of Target Chain 22 UniProt (TrEMBL) Secondary ID(s) of Target Chain 22 UniProt (TrEMBL) Alternative ID(s) of Target Chain 22 BindingDB Target Chain Sequence 23 PDB ID(s) of Target Chain 23 UniProt (SwissProt) Recommended Name of Target Chain 23 UniProt (SwissProt) Entry Name of Target Chain 23 UniProt (SwissProt) Primary ID of Target Chain 23 UniProt (SwissProt) Secondary ID(s) of Target Chain 23 UniProt (SwissProt) Alternative ID(s) of Target Chain 23 UniProt (TrEMBL) Submitted Name of Target Chain 23 UniProt (TrEMBL) Entry Name of Target Chain 23 UniProt (TrEMBL) Primary ID of Target Chain 23 UniProt (TrEMBL) Secondary ID(s) of Target Chain 23 UniProt (TrEMBL) Alternative ID(s) of Target Chain 23 BindingDB Target Chain Sequence 24 PDB ID(s) of Target Chain 24 UniProt (SwissProt) Recommended Name of Target Chain 24 UniProt (SwissProt) Entry Name of Target Chain 24 UniProt (SwissProt) Primary ID of Target Chain 24 UniProt (SwissProt) Secondary ID(s) of Target Chain 24 UniProt (SwissProt) Alternative ID(s) of Target Chain 24 UniProt (TrEMBL) Submitted Name of Target Chain 24 UniProt (TrEMBL) Entry Name of Target Chain 24 UniProt (TrEMBL) Primary ID of Target Chain 24 UniProt (TrEMBL) Secondary ID(s) of Target Chain 24 UniProt (TrEMBL) Alternative ID(s) of Target Chain 24 BindingDB Target Chain Sequence 25 PDB ID(s) of Target Chain 25 UniProt (SwissProt) Recommended Name of Target Chain 25 UniProt (SwissProt) Entry Name of Target Chain 25 UniProt (SwissProt) Primary ID of Target Chain 25 UniProt (SwissProt) Secondary ID(s) of Target Chain 25 UniProt (SwissProt) Alternative ID(s) of Target Chain 25 UniProt (TrEMBL) Submitted Name of Target Chain 25 UniProt (TrEMBL) Entry Name of Target Chain 25 UniProt (TrEMBL) Primary ID of Target Chain 25 UniProt (TrEMBL) Secondary ID(s) of Target Chain 25 UniProt (TrEMBL) Alternative ID(s) of Target Chain 25 BindingDB Target Chain Sequence 26 PDB ID(s) of Target Chain 26 UniProt (SwissProt) Recommended Name of Target Chain 26 UniProt (SwissProt) Entry Name of Target Chain 26 UniProt (SwissProt) Primary ID of Target Chain 26 UniProt (SwissProt) Secondary ID(s) of Target Chain 26 UniProt (SwissProt) Alternative ID(s) of Target Chain 26 UniProt (TrEMBL) Submitted Name of Target Chain 26 UniProt (TrEMBL) Entry Name of Target Chain 26 UniProt (TrEMBL) Primary ID of Target Chain 26 UniProt (TrEMBL) Secondary ID(s) of Target Chain 26 UniProt (TrEMBL) Alternative ID(s) of Target Chain 26 BindingDB Target Chain Sequence 27 PDB ID(s) of Target Chain 27 UniProt (SwissProt) Recommended Name of Target Chain 27 UniProt (SwissProt) Entry Name of Target Chain 27 UniProt (SwissProt) Primary ID of Target Chain 27 UniProt (SwissProt) Secondary ID(s) of Target Chain 27 UniProt (SwissProt) Alternative ID(s) of Target Chain 27 UniProt (TrEMBL) Submitted Name of Target Chain 27 UniProt (TrEMBL) Entry Name of Target Chain 27 UniProt (TrEMBL) Primary ID of Target Chain 27 UniProt (TrEMBL) Secondary ID(s) of Target Chain 27 UniProt (TrEMBL) Alternative ID(s) of Target Chain 27 BindingDB Target Chain Sequence 28 PDB ID(s) of Target Chain 28 UniProt (SwissProt) Recommended Name of Target Chain 28 UniProt (SwissProt) Entry Name of Target Chain 28 UniProt (SwissProt) Primary ID of Target Chain 28 UniProt (SwissProt) Secondary ID(s) of Target Chain 28 UniProt (SwissProt) Alternative ID(s) of Target Chain 28 UniProt (TrEMBL) Submitted Name of Target Chain 28 UniProt (TrEMBL) Entry Name of Target Chain 28 UniProt (TrEMBL) Primary ID of Target Chain 28 UniProt (TrEMBL) Secondary ID(s) of Target Chain 28 UniProt (TrEMBL) Alternative ID(s) of Target Chain 28 BindingDB Target Chain Sequence 29 PDB ID(s) of Target Chain 29 UniProt (SwissProt) Recommended Name of Target Chain 29 UniProt (SwissProt) Entry Name of Target Chain 29 UniProt (SwissProt) Primary ID of Target Chain 29 UniProt (SwissProt) Secondary ID(s) of Target Chain 29 UniProt (SwissProt) Alternative ID(s) of Target Chain 29 UniProt (TrEMBL) Submitted Name of Target Chain 29 UniProt (TrEMBL) Entry Name of Target Chain 29 UniProt (TrEMBL) Primary ID of Target Chain 29 UniProt (TrEMBL) Secondary ID(s) of Target Chain 29 UniProt (TrEMBL) Alternative ID(s) of Target Chain 29 BindingDB Target Chain Sequence 30 PDB ID(s) of Target Chain 30 UniProt (SwissProt) Recommended Name of Target Chain 30 UniProt (SwissProt) Entry Name of Target Chain 30 UniProt (SwissProt) Primary ID of Target Chain 30 UniProt (SwissProt) Secondary ID(s) of Target Chain 30 UniProt (SwissProt) Alternative ID(s) of Target Chain 30 UniProt (TrEMBL) Submitted Name of Target Chain 30 UniProt (TrEMBL) Entry Name of Target Chain 30 UniProt (TrEMBL) Primary ID of Target Chain 30 UniProt (TrEMBL) Secondary ID(s) of Target Chain 30 UniProt (TrEMBL) Alternative ID(s) of Target Chain 30 BindingDB Target Chain Sequence 31 PDB ID(s) of Target Chain 31 UniProt (SwissProt) Recommended Name of Target Chain 31 UniProt (SwissProt) Entry Name of Target Chain 31 UniProt (SwissProt) Primary ID of Target Chain 31 UniProt (SwissProt) Secondary ID(s) of Target Chain 31 UniProt (SwissProt) Alternative ID(s) of Target Chain 31 UniProt (TrEMBL) Submitted Name of Target Chain 31 UniProt (TrEMBL) Entry Name of Target Chain 31 UniProt (TrEMBL) Primary ID of Target Chain 31 UniProt (TrEMBL) Secondary ID(s) of Target Chain 31 UniProt (TrEMBL) Alternative ID(s) of Target Chain 31 BindingDB Target Chain Sequence 32 PDB ID(s) of Target Chain 32 UniProt (SwissProt) Recommended Name of Target Chain 32 UniProt (SwissProt) Entry Name of Target Chain 32 UniProt (SwissProt) Primary ID of Target Chain 32 UniProt (SwissProt) Secondary ID(s) of Target Chain 32 UniProt (SwissProt) Alternative ID(s) of Target Chain 32 UniProt (TrEMBL) Submitted Name of Target Chain 32 UniProt (TrEMBL) Entry Name of Target Chain 32 UniProt (TrEMBL) Primary ID of Target Chain 32 UniProt (TrEMBL) Secondary ID(s) of Target Chain 32 UniProt (TrEMBL) Alternative ID(s) of Target Chain 32 BindingDB Target Chain Sequence 33 PDB ID(s) of Target Chain 33 UniProt (SwissProt) Recommended Name of Target Chain 33 UniProt (SwissProt) Entry Name of Target Chain 33 UniProt (SwissProt) Primary ID of Target Chain 33 UniProt (SwissProt) Secondary ID(s) of Target Chain 33 UniProt (SwissProt) Alternative ID(s) of Target Chain 33 UniProt (TrEMBL) Submitted Name of Target Chain 33 UniProt (TrEMBL) Entry Name of Target Chain 33 UniProt (TrEMBL) Primary ID of Target Chain 33 UniProt (TrEMBL) Secondary ID(s) of Target Chain 33 UniProt (TrEMBL) Alternative ID(s) of Target Chain 33 BindingDB Target Chain Sequence 34 PDB ID(s) of Target Chain 34 UniProt (SwissProt) Recommended Name of Target Chain 34 UniProt (SwissProt) Entry Name of Target Chain 34 UniProt (SwissProt) Primary ID of Target Chain 34 UniProt (SwissProt) Secondary ID(s) of Target Chain 34 UniProt (SwissProt) Alternative ID(s) of Target Chain 34 UniProt (TrEMBL) Submitted Name of Target Chain 34 UniProt (TrEMBL) Entry Name of Target Chain 34 UniProt (TrEMBL) Primary ID of Target Chain 34 UniProt (TrEMBL) Secondary ID(s) of Target Chain 34 UniProt (TrEMBL) Alternative ID(s) of Target Chain 34 BindingDB Target Chain Sequence 35 PDB ID(s) of Target Chain 35 UniProt (SwissProt) Recommended Name of Target Chain 35 UniProt (SwissProt) Entry Name of Target Chain 35 UniProt (SwissProt) Primary ID of Target Chain 35 UniProt (SwissProt) Secondary ID(s) of Target Chain 35 UniProt (SwissProt) Alternative ID(s) of Target Chain 35 UniProt (TrEMBL) Submitted Name of Target Chain 35 UniProt (TrEMBL) Entry Name of Target Chain 35 UniProt (TrEMBL) Primary ID of Target Chain 35 UniProt (TrEMBL) Secondary ID(s) of Target Chain 35 UniProt (TrEMBL) Alternative ID(s) of Target Chain 35 BindingDB Target Chain Sequence 36 PDB ID(s) of Target Chain 36 UniProt (SwissProt) Recommended Name of Target Chain 36 UniProt (SwissProt) Entry Name of Target Chain 36 UniProt (SwissProt) Primary ID of Target Chain 36 UniProt (SwissProt) Secondary ID(s) of Target Chain 36 UniProt (SwissProt) Alternative ID(s) of Target Chain 36 UniProt (TrEMBL) Submitted Name of Target Chain 36 UniProt (TrEMBL) Entry Name of Target Chain 36 UniProt (TrEMBL) Primary ID of Target Chain 36 UniProt (TrEMBL) Secondary ID(s) of Target Chain 36 UniProt (TrEMBL) Alternative ID(s) of Target Chain 36 BindingDB Target Chain Sequence 37 PDB ID(s) of Target Chain 37 UniProt (SwissProt) Recommended Name of Target Chain 37 UniProt (SwissProt) Entry Name of Target Chain 37 UniProt (SwissProt) Primary ID of Target Chain 37 UniProt (SwissProt) Secondary ID(s) of Target Chain 37 UniProt (SwissProt) Alternative ID(s) of Target Chain 37 UniProt (TrEMBL) Submitted Name of Target Chain 37 UniProt (TrEMBL) Entry Name of Target Chain 37 UniProt (TrEMBL) Primary ID of Target Chain 37 UniProt (TrEMBL) Secondary ID(s) of Target Chain 37 UniProt (TrEMBL) Alternative ID(s) of Target Chain 37 BindingDB Target Chain Sequence 38 PDB ID(s) of Target Chain 38 UniProt (SwissProt) Recommended Name of Target Chain 38 UniProt (SwissProt) Entry Name of Target Chain 38 UniProt (SwissProt) Primary ID of Target Chain 38 UniProt (SwissProt) Secondary ID(s) of Target Chain 38 UniProt (SwissProt) Alternative ID(s) of Target Chain 38 UniProt (TrEMBL) Submitted Name of Target Chain 38 UniProt (TrEMBL) Entry Name of Target Chain 38 UniProt (TrEMBL) Primary ID of Target Chain 38 UniProt (TrEMBL) Secondary ID(s) of Target Chain 38 UniProt (TrEMBL) Alternative ID(s) of Target Chain 38 BindingDB Target Chain Sequence 39 PDB ID(s) of Target Chain 39 UniProt (SwissProt) Recommended Name of Target Chain 39 UniProt (SwissProt) Entry Name of Target Chain 39 UniProt (SwissProt) Primary ID of Target Chain 39 UniProt (SwissProt) Secondary ID(s) of Target Chain 39 UniProt (SwissProt) Alternative ID(s) of Target Chain 39 UniProt (TrEMBL) Submitted Name of Target Chain 39 UniProt (TrEMBL) Entry Name of Target Chain 39 UniProt (TrEMBL) Primary ID of Target Chain 39 UniProt (TrEMBL) Secondary ID(s) of Target Chain 39 UniProt (TrEMBL) Alternative ID(s) of Target Chain 39 BindingDB Target Chain Sequence 40 PDB ID(s) of Target Chain 40 UniProt (SwissProt) Recommended Name of Target Chain 40 UniProt (SwissProt) Entry Name of Target Chain 40 UniProt (SwissProt) Primary ID of Target Chain 40 UniProt (SwissProt) Secondary ID(s) of Target Chain 40 UniProt (SwissProt) Alternative ID(s) of Target Chain 40 UniProt (TrEMBL) Submitted Name of Target Chain 40 UniProt (TrEMBL) Entry Name of Target Chain 40 UniProt (TrEMBL) Primary ID of Target Chain 40 UniProt (TrEMBL) Secondary ID(s) of Target Chain 40 UniProt (TrEMBL) Alternative ID(s) of Target Chain 40 BindingDB Target Chain Sequence 41 PDB ID(s) of Target Chain 41 UniProt (SwissProt) Recommended Name of Target Chain 41 UniProt (SwissProt) Entry Name of Target Chain 41 UniProt (SwissProt) Primary ID of Target Chain 41 UniProt (SwissProt) Secondary ID(s) of Target Chain 41 UniProt (SwissProt) Alternative ID(s) of Target Chain 41 UniProt (TrEMBL) Submitted Name of Target Chain 41 UniProt (TrEMBL) Entry Name of Target Chain 41 UniProt (TrEMBL) Primary ID of Target Chain 41 UniProt (TrEMBL) Secondary ID(s) of Target Chain 41 UniProt (TrEMBL) Alternative ID(s) of Target Chain 41 BindingDB Target Chain Sequence 42 PDB ID(s) of Target Chain 42 UniProt (SwissProt) Recommended Name of Target Chain 42 UniProt (SwissProt) Entry Name of Target Chain 42 UniProt (SwissProt) Primary ID of Target Chain 42 UniProt (SwissProt) Secondary ID(s) of Target Chain 42 UniProt (SwissProt) Alternative ID(s) of Target Chain 42 UniProt (TrEMBL) Submitted Name of Target Chain 42 UniProt (TrEMBL) Entry Name of Target Chain 42 UniProt (TrEMBL) Primary ID of Target Chain 42 UniProt (TrEMBL) Secondary ID(s) of Target Chain 42 UniProt (TrEMBL) Alternative ID(s) of Target Chain 42 BindingDB Target Chain Sequence 43 PDB ID(s) of Target Chain 43 UniProt (SwissProt) Recommended Name of Target Chain 43 UniProt (SwissProt) Entry Name of Target Chain 43 UniProt (SwissProt) Primary ID of Target Chain 43 UniProt (SwissProt) Secondary ID(s) of Target Chain 43 UniProt (SwissProt) Alternative ID(s) of Target Chain 43 UniProt (TrEMBL) Submitted Name of Target Chain 43 UniProt (TrEMBL) Entry Name of Target Chain 43 UniProt (TrEMBL) Primary ID of Target Chain 43 UniProt (TrEMBL) Secondary ID(s) of Target Chain 43 UniProt (TrEMBL) Alternative ID(s) of Target Chain 43 BindingDB Target Chain Sequence 44 PDB ID(s) of Target Chain 44 UniProt (SwissProt) Recommended Name of Target Chain 44 UniProt (SwissProt) Entry Name of Target Chain 44 UniProt (SwissProt) Primary ID of Target Chain 44 UniProt (SwissProt) Secondary ID(s) of Target Chain 44 UniProt (SwissProt) Alternative ID(s) of Target Chain 44 UniProt (TrEMBL) Submitted Name of Target Chain 44 UniProt (TrEMBL) Entry Name of Target Chain 44 UniProt (TrEMBL) Primary ID of Target Chain 44 UniProt (TrEMBL) Secondary ID(s) of Target Chain 44 UniProt (TrEMBL) Alternative ID(s) of Target Chain 44 BindingDB Target Chain Sequence 45 PDB ID(s) of Target Chain 45 UniProt (SwissProt) Recommended Name of Target Chain 45 UniProt (SwissProt) Entry Name of Target Chain 45 UniProt (SwissProt) Primary ID of Target Chain 45 UniProt (SwissProt) Secondary ID(s) of Target Chain 45 UniProt (SwissProt) Alternative ID(s) of Target Chain 45 UniProt (TrEMBL) Submitted Name of Target Chain 45 UniProt (TrEMBL) Entry Name of Target Chain 45 UniProt (TrEMBL) Primary ID of Target Chain 45 UniProt (TrEMBL) Secondary ID(s) of Target Chain 45 UniProt (TrEMBL) Alternative ID(s) of Target Chain 45 BindingDB Target Chain Sequence 46 PDB ID(s) of Target Chain 46 UniProt (SwissProt) Recommended Name of Target Chain 46 UniProt (SwissProt) Entry Name of Target Chain 46 UniProt (SwissProt) Primary ID of Target Chain 46 UniProt (SwissProt) Secondary ID(s) of Target Chain 46 UniProt (SwissProt) Alternative ID(s) of Target Chain 46 UniProt (TrEMBL) Submitted Name of Target Chain 46 UniProt (TrEMBL) Entry Name of Target Chain 46 UniProt (TrEMBL) Primary ID of Target Chain 46 UniProt (TrEMBL) Secondary ID(s) of Target Chain 46 UniProt (TrEMBL) Alternative ID(s) of Target Chain 46 BindingDB Target Chain Sequence 47 PDB ID(s) of Target Chain 47 UniProt (SwissProt) Recommended Name of Target Chain 47 UniProt (SwissProt) Entry Name of Target Chain 47 UniProt (SwissProt) Primary ID of Target Chain 47 UniProt (SwissProt) Secondary ID(s) of Target Chain 47 UniProt (SwissProt) Alternative ID(s) of Target Chain 47 UniProt (TrEMBL) Submitted Name of Target Chain 47 UniProt (TrEMBL) Entry Name of Target Chain 47 UniProt (TrEMBL) Primary ID of Target Chain 47 UniProt (TrEMBL) Secondary ID(s) of Target Chain 47 UniProt (TrEMBL) Alternative ID(s) of Target Chain 47 BindingDB Target Chain Sequence 48 PDB ID(s) of Target Chain 48 UniProt (SwissProt) Recommended Name of Target Chain 48 UniProt (SwissProt) Entry Name of Target Chain 48 UniProt (SwissProt) Primary ID of Target Chain 48 UniProt (SwissProt) Secondary ID(s) of Target Chain 48 UniProt (SwissProt) Alternative ID(s) of Target Chain 48 UniProt (TrEMBL) Submitted Name of Target Chain 48 UniProt (TrEMBL) Entry Name of Target Chain 48 UniProt (TrEMBL) Primary ID of Target Chain 48 UniProt (TrEMBL) Secondary ID(s) of Target Chain 48 UniProt (TrEMBL) Alternative ID(s) of Target Chain 48 BindingDB Target Chain Sequence 49 PDB ID(s) of Target Chain 49 UniProt (SwissProt) Recommended Name of Target Chain 49 UniProt (SwissProt) Entry Name of Target Chain 49 UniProt (SwissProt) Primary ID of Target Chain 49 UniProt (SwissProt) Secondary ID(s) of Target Chain 49 UniProt (SwissProt) Alternative ID(s) of Target Chain 49 UniProt (TrEMBL) Submitted Name of Target Chain 49 UniProt (TrEMBL) Entry Name of Target Chain 49 UniProt (TrEMBL) Primary ID of Target Chain 49 UniProt (TrEMBL) Secondary ID(s) of Target Chain 49 UniProt (TrEMBL) Alternative ID(s) of Target Chain 49 BindingDB Target Chain Sequence 50 PDB ID(s) of Target Chain 50 UniProt (SwissProt) Recommended Name of Target Chain 50 UniProt (SwissProt) Entry Name of Target Chain 50 UniProt (SwissProt) Primary ID of Target Chain 50 UniProt (SwissProt) Secondary ID(s) of Target Chain 50 UniProt (SwissProt) Alternative ID(s) of Target Chain 50 UniProt (TrEMBL) Submitted Name of Target Chain 50 UniProt (TrEMBL) Entry Name of Target Chain 50 UniProt (TrEMBL) Primary ID of Target Chain 50 UniProt (TrEMBL) Secondary ID(s) of Target Chain 50 UniProt (TrEMBL) Alternative ID(s) of Target Chain 50 1440993 Cc1cc(NS(=O)(=O)c2ccccc2Cl)ccc1Oc1ncccc1-c1ccnc(N[C@H]2CC[C@H](N)CC2)n1 |r,wU:31.33,wD:34.37,(.77,2.67,;1.54,1.33,;3.08,1.33,;3.85,,;5.39,,;6.16,1.33,;6.93,2.67,;5.39,2.67,;7.7,1.33,;8.47,,;10.01,,;10.78,1.33,;10.01,2.67,;8.47,2.67,;7.7,4,;3.08,-1.33,;1.54,-1.33,;.77,,;-.77,,;-1.54,-1.33,;-.77,-2.67,;-1.54,-4,;-3.08,-4,;-3.85,-2.67,;-3.08,-1.33,;-3.85,,;-3.08,1.33,;-3.85,2.67,;-5.39,2.67,;-6.16,1.33,;-7.7,1.33,;-8.47,,;-7.7,-1.33,;-8.47,-2.67,;-10.01,-2.67,;-10.78,-4,;-10.78,-1.33,;-10.01,,;-5.39,,)| InChI=1S/C28H29ClN6O3S/c1-18-17-21(35-39(36,37)26-7-3-2-6-23(26)29)12-13-25(18)38-27-22(5-4-15-31-27)24-14-16-32-28(34-24)33-20-10-8-19(30)9-11-20/h2-7,12-17,19-20,35H,8-11,30H2,1H3,(H,32,33,34) XCDBLGFETBAKNZ-UHFFFAOYSA-N 693191 N-[4-[[3-[2-[(4- aminocyclohexyl)amino]pyrimidin-4-yl]- 2-pyridyl]oxy]-3-methyl-phenyl]-2- chloro-benzenesulfonamide::US12071425, Compound 101 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 13.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693191 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693191&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1440994 Cc1cc(NS(=O)(=O)c2ccccc2Cl)cc(F)c1Oc1ncccc1-c1ccnc(N[C@H]2CC[C@H](N)CC2)n1 |r,wU:32.34,wD:35.38,(.77,2.67,;1.54,1.33,;3.08,1.33,;3.85,,;5.39,,;6.16,1.33,;6.93,2.67,;5.39,2.67,;7.7,1.33,;8.47,,;10.01,,;10.78,1.33,;10.01,2.67,;8.47,2.67,;7.7,4,;3.08,-1.33,;1.54,-1.33,;.77,-2.67,;.77,,;-.77,,;-1.54,-1.33,;-.77,-2.67,;-1.54,-4,;-3.08,-4,;-3.85,-2.67,;-3.08,-1.33,;-3.85,,;-3.08,1.33,;-3.85,2.67,;-5.39,2.67,;-6.16,1.33,;-7.7,1.33,;-8.47,,;-7.7,-1.33,;-8.47,-2.67,;-10.01,-2.67,;-10.78,-4,;-10.78,-1.33,;-10.01,,;-5.39,,)| InChI=1S/C28H28ClFN6O3S/c1-17-15-20(36-40(37,38)25-7-3-2-6-22(25)29)16-23(30)26(17)39-27-21(5-4-13-32-27)24-12-14-33-28(35-24)34-19-10-8-18(31)9-11-19/h2-7,12-16,18-19,36H,8-11,31H2,1H3,(H,33,34,35) IFMAKMKVWGXXNO-UHFFFAOYSA-N 693192 N-[4-[[3-[2-[(4- aminocylcohexyl)amino]pyrimidin-4-yl]- 2-pyridyl]oxy]-3-fluoro-5-methyl- phenyl]-2-chloro-benzenesulfonamide::US12071425, Compound 102 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 10.00 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693192 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693192&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1440995 Cc1ccc(cc1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1)C(=O)NS(=O)(=O)c1ccccc1Cl |r| InChI=1S/C28H27ClN6O4S/c1-18-10-11-19(26(36)35-40(37,38)25-9-3-2-8-22(25)29)16-24(18)39-27-21(7-5-14-31-27)23-12-15-32-28(34-23)33-20-6-4-13-30-17-20/h2-3,5,7-12,14-16,20,30H,4,6,13,17H2,1H3,(H,35,36)(H,32,33,34) YLXHUIFYQBDYFN-UHFFFAOYSA-N 693193 (S)-N-((2-chlorophenyl)sulfonyl)-4- methyl-3-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)benzamide::US12071425, Compound 103 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 30.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693193 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693193&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1440996 N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cccnc1Oc1c(F)cc(NS(=O)(=O)c2ccccc2Cl)cc1Cl |r,wU:4.7,wD:1.0,(-10.78,-4,;-10.01,-2.67,;-8.47,-2.67,;-7.7,-1.33,;-8.47,,;-10.01,,;-10.78,-1.33,;-7.7,1.33,;-6.16,1.33,;-5.39,2.67,;-3.85,2.67,;-3.08,1.33,;-3.85,,;-5.39,,;-3.08,-1.33,;-3.85,-2.67,;-3.08,-4,;-1.54,-4,;-.77,-2.67,;-1.54,-1.33,;-.77,,;.77,,;1.54,-1.33,;.77,-2.67,;3.08,-1.33,;3.85,,;5.39,,;6.16,1.33,;6.93,2.67,;5.39,2.67,;7.7,1.33,;8.47,,;10.01,,;10.78,1.33,;10.01,2.67,;8.47,2.67,;7.7,4,;3.08,1.33,;1.54,1.33,;.77,2.67,)| InChI=1S/C27H25Cl2FN6O3S/c28-20-5-1-2-6-24(20)40(37,38)36-18-14-21(29)25(22(30)15-18)39-26-19(4-3-12-32-26)23-11-13-33-27(35-23)34-17-9-7-16(31)8-10-17/h1-6,11-17,36H,7-10,31H2,(H,33,34,35) XVRMCIGPEXNRGD-UHFFFAOYSA-N 693194 N-[4-[[3-[2-[(4- aminocyclohexyl)amino]pyrimidin-4-yl]- 2-pyridyl]oxy]-3-chloro-5-fluoro- phenyl]-2-chloro-benzenesulfonamide::US12071425, Compound 104 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 5.90 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693194 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693194&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1440997 Fc1cc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc1NS(=O)(=O)CCC(F)(F)F |r| InChI=1S/C23H24F4N6O3S/c24-18-13-16(5-6-20(18)33-37(34,35)12-8-23(25,26)27)36-21-17(4-2-10-29-21)19-7-11-30-22(32-19)31-15-3-1-9-28-14-15/h2,4-7,10-11,13,15,28,33H,1,3,8-9,12,14H2,(H,30,31,32) XJEVUXKNBUAUBE-UHFFFAOYSA-N 693195 (S)-3,3,3-trifluoro-N-(2-fluoro-4-((3-(2- (piperidin-3-ylamino)pyrimidin-4- yl)pyridin-2-yl)oxy)phenyl)propane-1- sulfonamide::US12071425, Compound 105 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 27.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693195 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693195&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1440998 Fc1cc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc1NS(=O)(=O)Cc1ccccc1 |r| InChI=1S/C27H27FN6O3S/c28-23-16-21(10-11-25(23)34-38(35,36)18-19-6-2-1-3-7-19)37-26-22(9-5-14-30-26)24-12-15-31-27(33-24)32-20-8-4-13-29-17-20/h1-3,5-7,9-12,14-16,20,29,34H,4,8,13,17-18H2,(H,31,32,33) NYRDJPJHUQMBDA-UHFFFAOYSA-N 693196 (S)-N-(2-fluoro-4-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-1- phenylmethanesulfonamide::US12071425, Compound 106 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 5.70 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693196 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693196&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1440999 Fc1cc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c(F)cc1NS(=O)(=O)Cc1ccccc1 |r| InChI=1S/C27H26F2N6O3S/c28-21-15-25(22(29)14-24(21)35-39(36,37)17-18-6-2-1-3-7-18)38-26-20(9-5-12-31-26)23-10-13-32-27(34-23)33-19-8-4-11-30-16-19/h1-3,5-7,9-10,12-15,19,30,35H,4,8,11,16-17H2,(H,32,33,34) ARCGRCFHAFBLGI-UHFFFAOYSA-N 693197 (S)-N-(2,5-difluoro-4-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-1- phenylmethanesulfonamide::US12071425, Compound 107 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 5.20 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693197 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693197&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441000 Fc1c(F)c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc1NS(=O)(=O)Cc1ccccc1 |r| InChI=1S/C27H26F2N6O3S/c28-24-22(35-39(36,37)17-18-6-2-1-3-7-18)10-11-23(25(24)29)38-26-20(9-5-14-31-26)21-12-15-32-27(34-21)33-19-8-4-13-30-16-19/h1-3,5-7,9-12,14-15,19,30,35H,4,8,13,16-17H2,(H,32,33,34) LQJPEVBILKJFKR-UHFFFAOYSA-N 693198 (S)-N-(2,3-difluoro-4-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-1- phenylmethanesulfonamide::US12071425, Compound 108 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 3.40 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693198 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693198&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441001 Fc1cc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c(F)cc1NS(=O)(=O)CCC(F)(F)F |r| InChI=1S/C23H23F5N6O3S/c24-16-12-20(17(25)11-19(16)34-38(35,36)10-6-23(26,27)28)37-21-15(4-2-8-30-21)18-5-9-31-22(33-18)32-14-3-1-7-29-13-14/h2,4-5,8-9,11-12,14,29,34H,1,3,6-7,10,13H2,(H,31,32,33) JEJOXCXAYMBAGU-UHFFFAOYSA-N 693199 (S)-N-(2,5-difluoro-4-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-3,3,3-trifluoropropane-1- sulfonamide::US12071425, Compound 109 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 26.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693199 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693199&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441002 Fc1c(F)c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc1NS(=O)(=O)CCC(F)(F)F |r| InChI=1S/C23H23F5N6O3S/c24-19-17(34-38(35,36)12-8-23(26,27)28)5-6-18(20(19)25)37-21-15(4-2-10-30-21)16-7-11-31-22(33-16)32-14-3-1-9-29-13-14/h2,4-7,10-11,14,29,34H,1,3,8-9,12-13H2,(H,31,32,33) PZYJWCYDFOLUSS-UHFFFAOYSA-N 693200 (S)-N-(2,5-difluoro-4-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-3,3,3-trifluoropropane-1- sulfonamide::US12071425, Compound 110 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 9.70 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693200 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693200&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441003 C[C@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1ccc(NS(=O)(=O)Cc2ccccc2)c(F)c1F |r| InChI=1S/C28H28F2N6O3S/c1-18-14-20(16-31-15-18)34-28-33-13-11-22(35-28)21-8-5-12-32-27(21)39-24-10-9-23(25(29)26(24)30)36-40(37,38)17-19-6-3-2-4-7-19/h2-13,18,20,31,36H,14-17H2,1H3,(H,33,34,35) USIGOMURVZMVNA-UHFFFAOYSA-N 693201 N-(2,3-difluoro-4-((3-(2-(((3S,5R)-5- methylpiperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2-yl)oxy)phenyl)-1- phenylmethanesulfonamide::US12071425, Compound 111 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 4.40 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693201 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693201&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441004 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1ccc(NS(=O)(=O)Cc2ccccc2)c(F)c1F |r| InChI=1S/C27H25F3N6O3S/c28-18-13-19(15-31-14-18)34-27-33-12-10-21(35-27)20-7-4-11-32-26(20)39-23-9-8-22(24(29)25(23)30)36-40(37,38)16-17-5-2-1-3-6-17/h1-12,18-19,31,36H,13-16H2,(H,33,34,35) WBFCVEDGZNJFDY-UHFFFAOYSA-N 693202 N-(2,3-difluoro-4-((3-(2-(((3S,5S)-5- fluoropipeiridn-3-yl)amino)pyrimidin-4- yl)pyridin-2-yl)oxy)phenyl)-1- phenylmethanesulfonamide::US12071425, Compound 112 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 4.60 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693202 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693202&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441005 FC(F)(F)c1cc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc1NS(=O)(=O)Cc1ccccc1 |r| InChI=1S/C28H27F3N6O3S/c29-28(30,31)23-16-21(10-11-25(23)37-41(38,39)18-19-6-2-1-3-7-19)40-26-22(9-5-14-33-26)24-12-15-34-27(36-24)35-20-8-4-13-32-17-20/h1-3,5-7,9-12,14-16,20,32,37H,4,8,13,17-18H2,(H,34,35,36) MATFDLXXJAHESE-UHFFFAOYSA-N 693203 (S)-1-phenyl-N-(4-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)-2- (trifluoromethyl)phenyl)methanesulfona- mide::US12071425, Compound 113 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 11.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693203 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693203&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441006 Cc1cc(NS(=O)(=O)c2ccccc2Cl)cc(F)c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1 |r| InChI=1S/C27H26ClFN6O3S/c1-17-14-19(35-39(36,37)24-9-3-2-8-21(24)28)15-22(29)25(17)38-26-20(7-5-12-31-26)23-10-13-32-27(34-23)33-18-6-4-11-30-16-18/h2-3,5,7-10,12-15,18,30,35H,4,6,11,16H2,1H3,(H,32,33,34) LCTQEAKNTUDBSW-UHFFFAOYSA-N 693204 (S)-2-chloro-N-(3-fluoro-5-methyl-4-((3- (2-(piperidin-3-ylamino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)benzenesulfonamide::US12071425, Compound 114 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 7.30 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693204 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693204&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441007 CCCCS(=O)(=O)Nc1cc(C)c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c(F)c1 |r| InChI=1S/C25H31FN6O3S/c1-3-4-13-36(33,34)32-19-14-17(2)23(21(26)15-19)35-24-20(8-6-11-28-24)22-9-12-29-25(31-22)30-18-7-5-10-27-16-18/h6,8-9,11-12,14-15,18,27,32H,3-5,7,10,13,16H2,1-2H3,(H,29,30,31) WAHMAGVIIJDNCM-UHFFFAOYSA-N 693205 (S)-N-(3-fluoro-5-methyl-4-((3-(2- (piperidin-3-ylamino)pyrimidin-4- yl)pyridin-2-yl)oxy)phenyl)butane-1- sulfonamide::US12071425, Compound 115 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 30.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693205 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693205&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441008 Cc1cc(NS(=O)(=O)C2CCCC2)cc(F)c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1 |r| InChI=1S/C26H31FN6O3S/c1-17-14-19(33-37(34,35)20-7-2-3-8-20)15-22(27)24(17)36-25-21(9-5-12-29-25)23-10-13-30-26(32-23)31-18-6-4-11-28-16-18/h5,9-10,12-15,18,20,28,33H,2-4,6-8,11,16H2,1H3,(H,30,31,32) HYSUWCLWIDZAFH-UHFFFAOYSA-N 693206 (S)-N-(3-fluoro-5-methyl-4-((3-(2- (piperidin-3-ylamino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)cyclopentanesulfonamide::US12071425, Compound 116 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 23.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693206 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693206&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441009 Cc1cc(NS(=O)(=O)C2CCCCC2)cc(F)c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1 |r| InChI=1S/C27H33FN6O3S/c1-18-15-20(34-38(35,36)21-8-3-2-4-9-21)16-23(28)25(18)37-26-22(10-6-13-30-26)24-11-14-31-27(33-24)32-19-7-5-12-29-17-19/h6,10-11,13-16,19,21,29,34H,2-5,7-9,12,17H2,1H3,(H,31,32,33) XAJSRXMECNKSMP-UHFFFAOYSA-N 693207 (S)-N-(3-fluoro-5-methyl-4-((3-(2- (piperidin-3-ylamino)pyrimidi-4- yl)pyridin-2- yl)oxy)phenyl)cyclohexanesulfonamide::US12071425, Compound 117 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 21.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693207 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693207&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441010 CCCS(=O)(=O)Nc1cc(C)c(Oc2ncccc2-c2ccnc(N[C@H]3CC[C@H](N)CC3)n2)c(F)c1 |r,wU:25.25,wD:28.29,(10.47,1.23,;9.14,2,;7.8,1.23,;6.47,2,;7.24,3.33,;5.14,2.77,;5.7,.67,;4.16,.67,;3.39,2,;1.85,2,;1.08,3.33,;1.08,.67,;-.46,.67,;-1.23,-.67,;-.46,-2,;-1.23,-3.33,;-2.77,-3.33,;-3.54,-2,;-2.77,-.67,;-3.54,.67,;-2.77,2,;-3.54,3.33,;-5.08,3.33,;-5.85,2,;-7.39,2,;-8.16,.67,;-7.39,-.67,;-8.16,-2,;-9.7,-2,;-10.47,-3.33,;-10.47,-.67,;-9.7,.67,;-5.08,.67,;1.85,-.67,;1.08,-2,;3.39,-.67,)| InChI=1S/C25H31FN6O3S/c1-3-13-36(33,34)32-19-14-16(2)23(21(26)15-19)35-24-20(5-4-11-28-24)22-10-12-29-25(31-22)30-18-8-6-17(27)7-9-18/h4-5,10-12,14-15,17-18,32H,3,6-9,13,27H2,1-2H3,(H,29,30,31) XAMBBJPZIHSOGX-UHFFFAOYSA-N 693208 N-(4-((3-(2-(((1r,4r)-4- aminocyclohexyl)amino)pyrimidin-4- yl)pyridin-2-yl)oxy)-3-fluoro-5- methylphenyl)propane-1-sulfonamide::US12071425, Compound 118 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 47.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693208 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693208&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441011 Cc1cc(NS(=O)(=O)Cc2ccccc2)cc(F)c1Oc1ncccc1-c1ccnc(N[C@H]2CC[C@H](N)CC2)n1 |r,wU:32.34,wD:35.38,(1.75,3.36,;2.52,2.03,;4.06,2.03,;4.83,.69,;6.37,.69,;7.14,2.03,;7.91,3.36,;5.8,2.8,;8.47,1.26,;8.47,-.28,;7.14,-1.05,;7.14,-2.59,;8.47,-3.36,;9.8,-2.59,;9.8,-1.05,;4.06,-.64,;2.52,-.64,;1.75,-1.97,;1.75,.69,;.21,.69,;-.56,-.64,;.21,-1.97,;-.56,-3.31,;-2.1,-3.31,;-2.87,-1.97,;-2.1,-.64,;-2.87,.69,;-2.1,2.03,;-2.87,3.36,;-4.41,3.36,;-5.18,2.03,;-6.72,2.03,;-7.49,.69,;-6.72,-.64,;-7.49,-1.97,;-9.03,-1.97,;-9.8,-3.31,;-9.8,-.64,;-9.03,.69,;-4.41,.69,)| InChI=1S/C29H31FN6O3S/c1-19-16-23(36-40(37,38)18-20-6-3-2-4-7-20)17-25(30)27(19)39-28-24(8-5-14-32-28)26-13-15-33-29(35-26)34-22-11-9-21(31)10-12-22/h2-8,13-17,21-22,36H,9-12,18,31H2,1H3,(H,33,34,35) FEINVFYBLOSTGT-UHFFFAOYSA-N 693209 N-(4-((3-(2-(((1r,4r)-4- aminocyclohexyl)amino)pyrimidin-4- yl)pyridin-2-yl)oxy)-3-fluoro-5- methylphenyl)-1- phenylmethanesulfonamide::US12071425, Compound 119 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 13.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693209 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693209&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441012 Cc1cc(NC(=O)C2CC2)cc(F)c1Oc1ncccc1-c1ccnc(N[C@H]2CC[C@H](N)CC2)n1 |r,wU:27.29,wD:30.33,(1.64,3.33,;2.41,2,;3.95,2,;4.72,.67,;6.26,.67,;7.03,2,;6.26,3.33,;8.57,2,;9.91,1.23,;9.91,2.77,;3.95,-.67,;2.41,-.67,;1.64,-2,;1.64,.67,;.1,.67,;-.67,-.67,;.1,-2,;-.67,-3.33,;-2.21,-3.33,;-2.98,-2,;-2.21,-.67,;-2.98,.67,;-2.21,2,;-2.98,3.33,;-4.52,3.33,;-5.29,2,;-6.83,2,;-7.6,.67,;-6.83,-.67,;-7.6,-2,;-9.14,-2,;-9.91,-3.33,;-9.91,-.67,;-9.14,.67,;-4.52,.67,)| InChI=1S/C26H29FN6O2/c1-15-13-19(31-24(34)16-4-5-16)14-21(27)23(15)35-25-20(3-2-11-29-25)22-10-12-30-26(33-22)32-18-8-6-17(28)7-9-18/h2-3,10-14,16-18H,4-9,28H2,1H3,(H,31,34)(H,30,32,33) YYHHIQKVIHTBOR-UHFFFAOYSA-N 693210 N-(4-((3-(2-(((1r,4r)-4- aminocyclohexyl)amino)pyrimidin-4- yl)pyridin-2-yl)oxy)-3-fluoro-5- methylphenyl)cyclopropanecarboxamide::US12071425, Compound 120 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 110 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693210 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693210&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441013 CCCS(=O)(=O)Nc1cc(F)c(Oc2ncccc2-c2ccnc(N[C@@H]3CC[C@@H](N)NC3)n2)c(Cl)c1 |r| InChI=1S/C23H27ClFN7O3S/c1-2-10-36(33,34)32-15-11-17(24)21(18(25)12-15)35-22-16(4-3-8-27-22)19-7-9-28-23(31-19)30-14-5-6-20(26)29-13-14/h3-4,7-9,11-12,14,20,29,32H,2,5-6,10,13,26H2,1H3,(H,28,30,31) OZTFIXSRFMMEKY-UHFFFAOYSA-N 693211 N-(4-((3-(2-(((1r,4r)-4- aminocyclohexyl)amino)pyrimidin-4- yl)pyridin-2-yl)oxy)-3-chloro-5- fluorophenyl)propane-1-sulfonamide::US12071425, Compound 121 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 26.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693211 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693211&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441014 CCCS(=O)(=O)Nc1cc(F)c(Oc2ncccc2-c2ccnc(N[C@@H]3CC[C@@H](N)NC3)n2)c(F)c1 |r| InChI=1S/C23H27F2N7O3S/c1-2-10-36(33,34)32-15-11-17(24)21(18(25)12-15)35-22-16(4-3-8-27-22)19-7-9-28-23(31-19)30-14-5-6-20(26)29-13-14/h3-4,7-9,11-12,14,20,29,32H,2,5-6,10,13,26H2,1H3,(H,28,30,31) SZGMRPZGNYOGNI-UHFFFAOYSA-N 693212 N-(4-((3-(2-(((1r,4r)-4- aminocyclohexyl)amino)pyrimidin-4- yl)pyridin-2-yl)oxy)-3,5- difluorophenyl)propane-1-sulfonamide::US12071425, Compound 122 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 20.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693212 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693212&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441015 Cc1c(C)c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc1NS(=O)(=O)c1ccccc1Cl |r| InChI=1S/C28H29ClN6O3S/c1-18-19(2)25(12-11-23(18)35-39(36,37)26-10-4-3-9-22(26)29)38-27-21(8-6-15-31-27)24-13-16-32-28(34-24)33-20-7-5-14-30-17-20/h3-4,6,8-13,15-16,20,30,35H,5,7,14,17H2,1-2H3,(H,32,33,34) HXHYRDWKYWIEBU-UHFFFAOYSA-N 693213 (S)-2-Chloro-N-(2,3-dimethyl-4-((3-(2- (piperidin-3-ylamino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)benzenesulfonamide::US12071425, Compound 123 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 50.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693213 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693213&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441016 CCCS(=O)(=O)Nc1ccc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c(C)c1C |r| InChI=1S/C25H32N6O3S/c1-4-15-35(32,33)31-21-9-10-23(18(3)17(21)2)34-24-20(8-6-13-27-24)22-11-14-28-25(30-22)29-19-7-5-12-26-16-19/h6,8-11,13-14,19,26,31H,4-5,7,12,15-16H2,1-3H3,(H,28,29,30) BXGFXUKRYCXTPJ-UHFFFAOYSA-N 693214 (S)-N-(2,5-Dimethyl-4-((3-(2-(piperidin- 3-ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)propane-1-sulfonamide::US12071425, Compound 124 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 210 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693214 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693214&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441017 Cc1cc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c(C)cc1NS(=O)(=O)c1ccccc1Cl |r| InChI=1S/C28H29ClN6O3S/c1-18-16-25(19(2)15-24(18)35-39(36,37)26-10-4-3-9-22(26)29)38-27-21(8-6-13-31-27)23-11-14-32-28(34-23)33-20-7-5-12-30-17-20/h3-4,6,8-11,13-16,20,30,35H,5,7,12,17H2,1-2H3,(H,32,33,34) MTXIQZNFSFWFNS-UHFFFAOYSA-N 693215 (S)-2-chloro-N-(2,5-dimethyl-4-((3-(2- (piperidin-3-ylamino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)benzenesulfonamide::US12071425, Compound 125 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 27.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693215 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693215&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441018 CCCS(=O)(=O)Nc1cc(C)c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)cc1C |r| InChI=1S/C25H32N6O3S/c1-4-13-35(32,33)31-22-14-18(3)23(15-17(22)2)34-24-20(8-6-11-27-24)21-9-12-28-25(30-21)29-19-7-5-10-26-16-19/h6,8-9,11-12,14-15,19,26,31H,4-5,7,10,13,16H2,1-3H3,(H,28,29,30) GJJZEAACJIOQNV-UHFFFAOYSA-N 693216 (S)-N-(2,5-Dimethyl-4-((3-(2-(piperidin- 3-ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)propane-1-sulfonamide::US12071425, Compound 126 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 280 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693216 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693216&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441019 CCCS(=O)(=O)Nc1ccc(F)c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c1 |r| InChI=1S/C23H27FN6O3S/c1-2-13-34(31,32)30-16-7-8-19(24)21(14-16)33-22-18(6-4-11-26-22)20-9-12-27-23(29-20)28-17-5-3-10-25-15-17/h4,6-9,11-12,14,17,25,30H,2-3,5,10,13,15H2,1H3,(H,27,28,29) KQDWHCUFHPCWDY-UHFFFAOYSA-N 693217 (S)-N-(4-fluoro-3-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)propane-1-sulfonamide::US12071425, Compound 127 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 370 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693217 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693217&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441020 Fc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1 |r| InChI=1S/C26H24ClFN6O3S/c27-20-7-1-2-8-24(20)38(35,36)34-17-9-10-21(28)23(15-17)37-25-19(6-4-13-30-25)22-11-14-31-26(33-22)32-18-5-3-12-29-16-18/h1-2,4,6-11,13-15,18,29,34H,3,5,12,16H2,(H,31,32,33) ZKUHMFYAFNVLIF-UHFFFAOYSA-N 693218 (S)-2-Chloro-N-(4-fluoro-3-((3-(2- (piperidin-3-ylamino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)benzenesulfonamdie::US12071425, Compound 128 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 11.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693218 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693218&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441021 Cc1c(C)c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc1NC(=O)CC1CCCCC1 |r| InChI=1S/C30H38N6O2/c1-20-21(2)27(13-12-25(20)35-28(37)18-22-8-4-3-5-9-22)38-29-24(11-7-16-32-29)26-14-17-33-30(36-26)34-23-10-6-15-31-19-23/h7,11-14,16-17,22-23,31H,3-6,8-10,15,18-19H2,1-2H3,(H,35,37)(H,33,34,36) WCMOHVNXAZQCJE-UHFFFAOYSA-N 693219 (S)-2-Cyclohexyl-N-(2,3-dimethyl-4-((3- (2-(piperiidn-3-ylamino)pyrimidin-4- yl)pyridin-2-yl)oxy)phenyl)acetamide::US12071425, Compound 129 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 230 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693219 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693219&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441022 Cc1c(C)c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc1NC(=O)Cc1ccc(Cl)cc1 |r| InChI=1S/C30H31ClN6O2/c1-19-20(2)27(12-11-25(19)36-28(38)17-21-7-9-22(31)10-8-21)39-29-24(6-4-15-33-29)26-13-16-34-30(37-26)35-23-5-3-14-32-18-23/h4,6-13,15-16,23,32H,3,5,14,17-18H2,1-2H3,(H,36,38)(H,34,35,37) LUSYXJICDTYRHE-UHFFFAOYSA-N 693220 (S)-2-(4-Chlorophenyl)-N-(2,3-dimethyl- 4-((3-(2-(piperidin-3-ylamino)pyrimidin- 4-yl)pyridin-2-yl)oxy)phenyl)acetamide::US12071425, Compound 130 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 170 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693220 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693220&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441023 Cc1cc(NS(=O)(=O)c2ccccc2Cl)cc(C)c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1 |r| InChI=1S/C28H29ClN6O3S/c1-18-15-21(35-39(36,37)25-10-4-3-9-23(25)29)16-19(2)26(18)38-27-22(8-6-13-31-27)24-11-14-32-28(34-24)33-20-7-5-12-30-17-20/h3-4,6,8-11,13-16,20,30,35H,5,7,12,17H2,1-2H3,(H,32,33,34) JICGIAOCSLJYNV-UHFFFAOYSA-N 693221 (S)-2-chloro-N-(3,5-dimethyl-4-((3-(2- (piperidin-3-ylamino)pyrimiin-4- yl)pyridin-2- yl)oxy)phenyl)benzenesulfonamide::US12071425, Compound 131 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 59.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693221 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693221&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441024 Clc1ccccc1S(=O)(=O)Nc1cccc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c1 |r| InChI=1S/C26H25ClN6O3S/c27-22-10-1-2-11-24(22)37(34,35)33-18-6-3-8-20(16-18)36-25-21(9-5-14-29-25)23-12-15-30-26(32-23)31-19-7-4-13-28-17-19/h1-3,5-6,8-12,14-16,19,28,33H,4,7,13,17H2,(H,30,31,32) DVCOBRMTILFSDX-UHFFFAOYSA-N 693222 (S)-2-chloro-N-(3-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)benzenesulfonamide::US12071425, Compound 132 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 32.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693222 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693222&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441025 O=S(=O)(Cc1ccccc1)Nc1cccc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c1 |r| InChI=1S/C27H28N6O3S/c34-37(35,19-20-7-2-1-3-8-20)33-21-9-4-11-23(17-21)36-26-24(12-6-15-29-26)25-13-16-30-27(32-25)31-22-10-5-14-28-18-22/h1-4,6-9,11-13,15-17,22,28,33H,5,10,14,18-19H2,(H,30,31,32) MJKJEVUFNMTDDC-UHFFFAOYSA-N 693223 (S)-1-phenyl-N-(3-((3-(2-(piperidin-3- ylamino)pyrimidi-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 133 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 120 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693223 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693223&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441026 Clc1ccccc1S(=O)(=O)Nc1ccc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)cc1 |r| InChI=1S/C26H25ClN6O3S/c27-22-7-1-2-8-24(22)37(34,35)33-18-9-11-20(12-10-18)36-25-21(6-4-15-29-25)23-13-16-30-26(32-23)31-19-5-3-14-28-17-19/h1-2,4,6-13,15-16,19,28,33H,3,5,14,17H2,(H,30,31,32) FHPWVGMNKAHVEU-UHFFFAOYSA-N 693224 (S)-2-chloro-N-(4-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)benzenesulfoanmdie::US12071425, Compound 134 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 21.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693224 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693224&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441027 Cc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1 |r| InChI=1S/C27H27ClN6O3S/c1-18-10-11-19(34-38(35,36)25-9-3-2-8-22(25)28)16-24(18)37-26-21(7-5-14-30-26)23-12-15-31-27(33-23)32-20-6-4-13-29-17-20/h2-3,5,7-12,14-16,20,29,34H,4,6,13,17H2,1H3,(H,31,32,33) COTAUSLNCGBIPV-UHFFFAOYSA-N 693225 (S)-2-chloro-N-(4-methyl-3-((3-(2- (piperidin-3-ylamino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)benzenesulfonamide::US12071425, Compound 135 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 41.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693225 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693225&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441028 Cc1ccc(NS(=O)(=O)Cc2ccccc2)cc1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1 |r| InChI=1S/C28H30N6O3S/c1-20-11-12-22(34-38(35,36)19-21-7-3-2-4-8-21)17-26(20)37-27-24(10-6-15-30-27)25-13-16-31-28(33-25)32-23-9-5-14-29-18-23/h2-4,6-8,10-13,15-17,23,29,34H,5,9,14,18-19H2,1H3,(H,31,32,33) XUQLIMVPZSQOFR-UHFFFAOYSA-N 693226 (S)-N-(4-methyl-3-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-1- phenylmethaensulfonamide::US12071425, Compound 136 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 200 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693226 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693226&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441029 Fc1c(NS(=O)(=O)c2ccccc2Cl)ccc(Cl)c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1 |r| InChI=1S/C26H23Cl2FN6O3S/c27-18-7-1-2-8-22(18)39(36,37)35-21-10-9-19(28)24(23(21)29)38-25-17(6-4-13-31-25)20-11-14-32-26(34-20)33-16-5-3-12-30-15-16/h1-2,4,6-11,13-14,16,30,35H,3,5,12,15H2,(H,32,33,34) SWVNPMINGBKRIM-UHFFFAOYSA-N 693227 (S)-2-chloro-N-(4-chloro-2-fluoro-3-((3- (2-(piperidin-3-ylamino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)benzenesulfonamide::US12071425, Compound 137 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 7.40 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693227 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693227&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441030 Fc1c(NS(=O)(=O)Cc2ccccc2)ccc(Cl)c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1 |r| InChI=1S/C27H26ClFN6O3S/c28-21-10-11-23(35-39(36,37)17-18-6-2-1-3-7-18)24(29)25(21)38-26-20(9-5-14-31-26)22-12-15-32-27(34-22)33-19-8-4-13-30-16-19/h1-3,5-7,9-12,14-15,19,30,35H,4,8,13,16-17H2,(H,32,33,34) GHRMILKAFCHHAU-UHFFFAOYSA-N 693228 (S)-N-(4-chloro-2-fluoro-3-((3-(2- (piperidin-3-ylamino)pyrimidin-4- yl)pyridin-2-yl)oxy)phenyl)-1- phenylmethanesulfonamide::US12071425, Compound 138 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 15.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693228 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693228&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441031 Cc1c(NS(=O)(=O)c2ccccc2Cl)cccc1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1 |r| InChI=1S/C27H27ClN6O3S/c1-18-22(34-38(35,36)25-12-3-2-9-21(25)28)10-4-11-24(18)37-26-20(8-6-15-30-26)23-13-16-31-27(33-23)32-19-7-5-14-29-17-19/h2-4,6,8-13,15-16,19,29,34H,5,7,14,17H2,1H3,(H,31,32,33) NOEVDTYRTVXJCW-UHFFFAOYSA-N 693229 (S)-2-chloro-N-(2-methyl-3-((3-(2- (piperidin-3-ylamino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)benzenesulfonamide::US12071425, Compound 139 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 46.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693229 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693229&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441032 Cc1c(NS(=O)(=O)Cc2ccccc2)cccc1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1 |r| InChI=1S/C28H30N6O3S/c1-20-24(34-38(35,36)19-21-8-3-2-4-9-21)12-5-13-26(20)37-27-23(11-7-16-30-27)25-14-17-31-28(33-25)32-22-10-6-15-29-18-22/h2-5,7-9,11-14,16-17,22,29,34H,6,10,15,18-19H2,1H3,(H,31,32,33) YZDDFBGAQOFYPP-UHFFFAOYSA-N 693230 (S)-N-(2-methyl-3-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-1- phenylmethanesulfonamide::US12071425, Compound 140 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 26.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693230 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693230&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441033 Fc1c(NS(=O)(=O)c2ccccc2Cl)cccc1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1 |r| InChI=1S/C26H24ClFN6O3S/c27-19-8-1-2-11-23(19)38(35,36)34-21-9-3-10-22(24(21)28)37-25-18(7-5-14-30-25)20-12-15-31-26(33-20)32-17-6-4-13-29-16-17/h1-3,5,7-12,14-15,17,29,34H,4,6,13,16H2,(H,31,32,33) GAXBMEBYQLKNCY-UHFFFAOYSA-N 693231 (S)-2-chloro-N-(2-fluoro-3-((3-(2- (piperidin-3-ylamino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)benzenesulfonamide::US12071425, Compound 141 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 17.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693231 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693231&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441034 Fc1c(NS(=O)(=O)Cc2ccccc2)cccc1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1 |r| InChI=1S/C27H27FN6O3S/c28-25-23(34-38(35,36)18-19-7-2-1-3-8-19)11-4-12-24(25)37-26-21(10-6-15-30-26)22-13-16-31-27(33-22)32-20-9-5-14-29-17-20/h1-4,6-8,10-13,15-16,20,29,34H,5,9,14,17-18H2,(H,31,32,33) XALHVOOKTMBLNX-UHFFFAOYSA-N 693232 (S)-N-(2-fluoro-3-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-1- phenylmethanesulfonamide::US12071425, Compound 142 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 16.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693232 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693232&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441035 CCCS(=O)(=O)Nc1ccc(Cl)c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c1F |r| InChI=1S/C23H26ClFN6O3S/c1-2-13-35(32,33)31-19-8-7-17(24)21(20(19)25)34-22-16(6-4-11-27-22)18-9-12-28-23(30-18)29-15-5-3-10-26-14-15/h4,6-9,11-12,15,26,31H,2-3,5,10,13-14H2,1H3,(H,28,29,30) MVFSYKLJRSVDHW-UHFFFAOYSA-N 693233 (S)-N-(4-chloro-2-fluoro-3-((3-(2- (piperidin-3-ylamino)pyrimidin-4- yl)pyridin-2-yl)oxy)phenyl)propane-1- sulfonamide::US12071425, Compound 143 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 34.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693233 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693233&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441036 CCCS(=O)(=O)Nc1cccc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c1F |r| InChI=1S/C23H27FN6O3S/c1-2-14-34(31,32)30-19-8-3-9-20(21(19)24)33-22-17(7-5-12-26-22)18-10-13-27-23(29-18)28-16-6-4-11-25-15-16/h3,5,7-10,12-13,16,25,30H,2,4,6,11,14-15H2,1H3,(H,27,28,29) RLGVOSHADMJCSE-UHFFFAOYSA-N 693234 (S)-N-(2-fluoro-3-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)propane-1-sulfonamide::US12071425, Compound 144 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 370 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693234 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693234&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441037 Fc1c(F)c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc1NS(=O)(=O)CC1CCCCC1 |r| InChI=1S/C27H32F2N6O3S/c28-24-22(35-39(36,37)17-18-6-2-1-3-7-18)10-11-23(25(24)29)38-26-20(9-5-14-31-26)21-12-15-32-27(34-21)33-19-8-4-13-30-16-19/h5,9-12,14-15,18-19,30,35H,1-4,6-8,13,16-17H2,(H,32,33,34) QDPIOPZYUJMADR-UHFFFAOYSA-N 693235 (S)-1-cyclohexyl-N-(2,3-difluoro-4-((3- (2-(piperidin-3-ylamino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 145 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 7.80 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693235 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693235&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441038 Fc1ccccc1CS(=O)(=O)Nc1ccc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c(F)c1F |r| InChI=1S/C27H25F3N6O3S/c28-20-8-2-1-5-17(20)16-40(37,38)36-22-9-10-23(25(30)24(22)29)39-26-19(7-4-13-32-26)21-11-14-33-27(35-21)34-18-6-3-12-31-15-18/h1-2,4-5,7-11,13-14,18,31,36H,3,6,12,15-16H2,(H,33,34,35) MFSSZEPMHGZSTJ-UHFFFAOYSA-N 693236 (S)-N-(2,3-difluoro-4-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-1-(2- fluorophenyl)methanesulfonamide::US12071425, Compound 146 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 4.00 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693236 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693236&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441039 Fc1c(F)c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc1NC(=O)C1CC1 |r| InChI=1S/C24H24F2N6O2/c25-20-18(31-22(33)14-5-6-14)7-8-19(21(20)26)34-23-16(4-2-11-28-23)17-9-12-29-24(32-17)30-15-3-1-10-27-13-15/h2,4,7-9,11-12,14-15,27H,1,3,5-6,10,13H2,(H,31,33)(H,29,30,32) NRENIAIQFZBCCV-UHFFFAOYSA-N 693237 (S)-N-(2,3-difluoro-4-(3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yloxy)phenyl)cyclopropanecarboxamide::US12071425, Compound 147 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 210 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693237 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693237&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441040 CCC(F)(F)CS(=O)(=O)Nc1ccc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c(F)c1F |r| InChI=1S/C24H26F4N6O3S/c1-2-24(27,28)14-38(35,36)34-18-7-8-19(21(26)20(18)25)37-22-16(6-4-11-30-22)17-9-12-31-23(33-17)32-15-5-3-10-29-13-15/h4,6-9,11-12,15,29,34H,2-3,5,10,13-14H2,1H3,(H,31,32,33) PGYBPHYVJRGROW-UHFFFAOYSA-N 693238 (S)-N-(2,3-Difluoro-4-((3-(2-(piperidin- 3-ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-2,2-difluorobutane-1- sulfonamide::US12071425, Compound 148 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 6.50 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693238 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693238&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441041 CC(F)(F)CCS(=O)(=O)Nc1ccc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c(F)c1F |r| InChI=1S/C24H26F4N6O3S/c1-24(27,28)9-13-38(35,36)34-18-6-7-19(21(26)20(18)25)37-22-16(5-3-11-30-22)17-8-12-31-23(33-17)32-15-4-2-10-29-14-15/h3,5-8,11-12,15,29,34H,2,4,9-10,13-14H2,1H3,(H,31,32,33) DKLDJJNJKQJLDQ-UHFFFAOYSA-N 693239 (S)-N-(2,3-difluoro-4-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-3,3-difluorobutane-1- sulfonamide::US12071425, Compound 149 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 8.70 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693239 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693239&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441042 Fc1c(F)c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc1NC(=O)C1CC11CC1 |r| InChI=1S/C26H26F2N6O2/c27-21-19(33-23(35)17-13-26(17)8-9-26)5-6-20(22(21)28)36-24-16(4-2-11-30-24)18-7-12-31-25(34-18)32-15-3-1-10-29-14-15/h2,4-7,11-12,15,17,29H,1,3,8-10,13-14H2,(H,33,35)(H,31,32,34) IRMJNRMPXJVOEL-UHFFFAOYSA-N 693240 US12071425, Compound 151::N-(2,3-difluoro-4-((3-(2-(((S)-piperidin- 3-yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)spiro[2.2]pentane-1- carboxamide::US12071425, Compound 150 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 300 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693240 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693240&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441043 Fc1c(F)c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc1NC(=O)C1CC11CC1 |r| InChI=1S/C26H26F2N6O2/c27-21-19(33-23(35)17-13-26(17)8-9-26)5-6-20(22(21)28)36-24-16(4-2-11-30-24)18-7-12-31-25(34-18)32-15-3-1-10-29-14-15/h2,4-7,11-12,15,17,29H,1,3,8-10,13-14H2,(H,33,35)(H,31,32,34) IRMJNRMPXJVOEL-UHFFFAOYSA-N 693240 US12071425, Compound 151::N-(2,3-difluoro-4-((3-(2-(((S)-piperidin- 3-yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)spiro[2.2]pentane-1- carboxamide::US12071425, Compound 150 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 84.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693240 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693240&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441044 Fc1cc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)cc(F)c1NS(=O)(=O)Cc1ccccc1 |r| InChI=1S/C27H26F2N6O3S/c28-22-14-20(15-23(29)25(22)35-39(36,37)17-18-6-2-1-3-7-18)38-26-21(9-5-12-31-26)24-10-13-32-27(34-24)33-19-8-4-11-30-16-19/h1-3,5-7,9-10,12-15,19,30,35H,4,8,11,16-17H2,(H,32,33,34) VYYWXZZWSHJAFN-UHFFFAOYSA-N 693242 (S)-N-(2,6-difluoro-4-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-1- phenylmethanesulfonamide::US12071425, Compound 152 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 3.90 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693242 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693242&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441045 Fc1cc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c(F)c(F)c1NS(=O)(=O)Cc1ccccc1 |r| InChI=1S/C27H25F3N6O3S/c28-20-14-22(23(29)24(30)25(20)36-40(37,38)16-17-6-2-1-3-7-17)39-26-19(9-5-12-32-26)21-10-13-33-27(35-21)34-18-8-4-11-31-15-18/h1-3,5-7,9-10,12-14,18,31,36H,4,8,11,15-16H2,(H,33,34,35) SRZTYCDVHBJGCJ-UHFFFAOYSA-N 693243 (S)-1-phenyl-N-(2,3,6-trifluoro-4-((3-(2- (piperidin-3-ylamino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 153 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 3.80 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693243 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693243&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441046 Cc1c(F)c(NS(=O)(=O)Cc2ccccc2)c(F)cc1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1 |r| InChI=1S/C28H28F2N6O3S/c1-18-24(15-22(29)26(25(18)30)36-40(37,38)17-19-7-3-2-4-8-19)39-27-21(10-6-13-32-27)23-11-14-33-28(35-23)34-20-9-5-12-31-16-20/h2-4,6-8,10-11,13-15,20,31,36H,5,9,12,16-17H2,1H3,(H,33,34,35) UULOMPXQVNASAV-UHFFFAOYSA-N 693244 (S)-N-(2,6-difluoro-3-methyl-4-(3-(2- (piperidin-3-ylamino)pyrimidin-4- yl)pyridin-2- yloxy)phenyl)(phenyl)methanesulfonamide::US12071425, Compound 154 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 3.80 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693244 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693244&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441047 Cc1cc(NS(=O)(=O)Cc2ccccc2)c(F)c(F)c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1 |r| InChI=1S/C28H28F2N6O3S/c1-18-15-23(36-40(37,38)17-19-7-3-2-4-8-19)24(29)25(30)26(18)39-27-21(10-6-13-32-27)22-11-14-33-28(35-22)34-20-9-5-12-31-16-20/h2-4,6-8,10-11,13-15,20,31,36H,5,9,12,16-17H2,1H3,(H,33,34,35) OGGDBYFZBMQKEH-UHFFFAOYSA-N 693245 (S)-N-(2,3-difluoro-5-methyl-4-((3-(2- (piperidin-3-ylamino)pyrimidin-4- yl)pyridin-2-yl)oxy)phenyl)-1- phenylmethanesulfonamide::US12071425, Compound 155 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 4.50 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693245 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693245&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441048 Fc1cc(NS(=O)(=O)Cc2ccccc2)c(F)c(F)c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1 |r| InChI=1S/C27H25F3N6O3S/c28-20-14-22(36-40(37,38)16-17-6-2-1-3-7-17)23(29)24(30)25(20)39-26-19(9-5-12-32-26)21-10-13-33-27(35-21)34-18-8-4-11-31-15-18/h1-3,5-7,9-10,12-14,18,31,36H,4,8,11,15-16H2,(H,33,34,35) AGOMLQFRZGHCSW-UHFFFAOYSA-N 693246 (S)-1-phenyl-N-(2,3,5-trifluoro-4-((3-(2- (piperidin-3-ylamino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 156 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 4.60 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693246 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693246&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441049 Cc1cc(NS(=O)(=O)Cc2ccccc2)ccc1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1 |r| InChI=1S/C28H30N6O3S/c1-20-17-22(34-38(35,36)19-21-7-3-2-4-8-21)11-12-26(20)37-27-24(10-6-15-30-27)25-13-16-31-28(33-25)32-23-9-5-14-29-18-23/h2-4,6-8,10-13,15-17,23,29,34H,5,9,14,18-19H2,1H3,(H,31,32,33) HWDCRORLDSSJAU-UHFFFAOYSA-N 693247 (S)-N-(3-methyl-4-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-1- phenylmethanesulfonamide::US12071425, Compound 157 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 29.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693247 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693247&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441050 Cc1cc(NS(=O)(=O)Cc2ccccc2)c(F)cc1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1 |r| InChI=1S/C28H29FN6O3S/c1-19-15-25(35-39(36,37)18-20-7-3-2-4-8-20)23(29)16-26(19)38-27-22(10-6-13-31-27)24-11-14-32-28(34-24)33-21-9-5-12-30-17-21/h2-4,6-8,10-11,13-16,21,30,35H,5,9,12,17-18H2,1H3,(H,32,33,34) IFKMTMVDPOQDQT-UHFFFAOYSA-N 693248 (S)-N-(2-fluoro-5-methyl-4-(3-(2- (piperidin-3-ylamino)pyrimidin-4- yl)pyridin-2- yloxy)phenyl)(phenyl)methanesulfonamide::US12071425, Compound 158 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 5.10 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693248 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693248&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441051 Fc1cc(NS(=O)(=O)Cc2ccccc2)ccc1Oc1ncccc1-c1ccnc(NC2CCCNC2)n1 InChI=1S/C27H27FN6O3S/c28-23-16-20(34-38(35,36)18-19-6-2-1-3-7-19)10-11-25(23)37-26-22(9-5-14-30-26)24-12-15-31-27(33-24)32-21-8-4-13-29-17-21/h1-3,5-7,9-12,14-16,21,29,34H,4,8,13,17-18H2,(H,31,32,33) AIKWVZFXNMHPIB-UHFFFAOYSA-N 693249 (S)-N-(3-fluoro-4-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-1- phenylmethanesulfonamide::US12071425, Compound 159 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 11.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693249 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693249&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441052 Cc1cc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c(F)c(F)c1NS(=O)(=O)Cc1ccccc1 |r| InChI=1S/C28H28F2N6O3S/c1-18-15-23(24(29)25(30)26(18)36-40(37,38)17-19-7-3-2-4-8-19)39-27-21(10-6-13-32-27)22-11-14-33-28(35-22)34-20-9-5-12-31-16-20/h2-4,6-8,10-11,13-15,20,31,36H,5,9,12,16-17H2,1H3,(H,33,34,35) QPRFTBDGRCHUGW-UHFFFAOYSA-N 693250 (S)-N-(2,3-difluoro-6-methyl-4-((3-(2- (piperiidn-3-ylamino)pyrimidin-4- yl)pyridin-2-yl)oxy)phenyl)-1- phenylmethanesulfonamide::US12071425, Compound 160 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 5.40 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693250 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693250&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441053 Fc1c(Cl)c(NS(=O)(=O)Cc2ccccc2)ccc1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1 |r| InChI=1S/C27H26ClFN6O3S/c28-24-22(35-39(36,37)17-18-6-2-1-3-7-18)10-11-23(25(24)29)38-26-20(9-5-14-31-26)21-12-15-32-27(34-21)33-19-8-4-13-30-16-19/h1-3,5-7,9-12,14-15,19,30,35H,4,8,13,16-17H2,(H,32,33,34) PTEFNBWUFHQFBV-UHFFFAOYSA-N 693251 (S)-N-(2-chloro-3-fluoro-4-((3-(2- (piperidin-3-ylamino)pyrimidin-4- yl)pyridin-2-yl)oxy)phenyl)-1- phenylmethanesulfonamide::US12071425, Compound 161 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 4.20 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693251 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693251&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441054 C[C@]1(F)CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1ccc(NS(=O)(=O)Cc2ccccc2)c(F)c1F |r| InChI=1S/C28H27F3N6O3S/c1-28(31)14-19(15-32-17-28)35-27-34-13-11-21(36-27)20-8-5-12-33-26(20)40-23-10-9-22(24(29)25(23)30)37-41(38,39)16-18-6-3-2-4-7-18/h2-13,19,32,37H,14-17H2,1H3,(H,34,35,36) OYJXUDWOCKPDFQ-UHFFFAOYSA-N 693252 N-(2,3-difluoro-4-((3-(2-(((3S,5R)-5- fluoro-5-methylpiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-1- phenylmethanesulfonamide::US12071425, Compound 162 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 6.90 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693252 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693252&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441055 Fc1c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc(NS(=O)(=O)Cc2ccccc2)c1C#N |r| InChI=1S/C28H26FN7O3S/c29-26-22(16-30)24(36-40(37,38)18-19-6-2-1-3-7-19)10-11-25(26)39-27-21(9-5-14-32-27)23-12-15-33-28(35-23)34-20-8-4-13-31-17-20/h1-3,5-7,9-12,14-15,20,31,36H,4,8,13,17-18H2,(H,33,34,35) DEGMUUOAYOJBII-UHFFFAOYSA-N 693253 (S)-N-(2-cyano-3-fluoro-4-((3-(2- (piperidin-3-ylamino)pyrimidin-4- yl)pyridin-2-yl)oxy)phenyl)-1- phenylmethanesulfonamide::US12071425, Compound 163 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 6.60 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693253 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693253&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441056 C[C@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1C |r| InChI=1S/C29H30F2N6O3S/c1-18-13-21(16-32-15-18)35-29-34-12-10-24(36-29)22-9-6-11-33-28(22)40-25-14-23(30)27(26(31)19(25)2)37-41(38,39)17-20-7-4-3-5-8-20/h3-12,14,18,21,32,37H,13,15-17H2,1-2H3,(H,34,35,36) MWEFUCUKHNZVBT-UHFFFAOYSA-N 693254 N-(2,6-difluoro-3-methyl-4-((3-(2-(((3S, 5R)-5-methyl-3- piperidyl)amino)pyrimidin-4-yl)-2- pyridyl)oxy)phenyl)-1-phenyl- methanesulfonamide::US12071425, Compound 164 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 4.00 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693254 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693254&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441057 C[C@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F |r| InChI=1S/C28H27F3N6O3S/c1-17-12-19(15-32-14-17)35-28-34-11-9-22(36-28)20-8-5-10-33-27(20)40-23-13-21(29)26(25(31)24(23)30)37-41(38,39)16-18-6-3-2-4-7-18/h2-11,13,17,19,32,37H,12,14-16H2,1H3,(H,34,35,36) QFKPIKYIWRNCNG-UHFFFAOYSA-N 693255 1-phenyl-N-(2,3,6-trifluoro-4-((3-(2- (((3S,5R)-5-methyl-3- piperidyl)amino)pyrimidin-4-yl)-2- pyridyl)oxy)phenyl)methanesulfonamide::US12071425, Compound 165 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 2.70 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693255 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693255&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441058 Fc1c(F)c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc1NS(=O)(=O)Cc1ccc(cc1)C#N |r| InChI=1S/C28H25F2N7O3S/c29-25-23(37-41(38,39)17-19-7-5-18(15-31)6-8-19)9-10-24(26(25)30)40-27-21(4-2-13-33-27)22-11-14-34-28(36-22)35-20-3-1-12-32-16-20/h2,4-11,13-14,20,32,37H,1,3,12,16-17H2,(H,34,35,36) LGIVCBQSTLOOOH-UHFFFAOYSA-N 693256 (S)-1-(4-cyanophenyl)-N-(2,3-difluoro-4- ((3-(2-(piperidin-3-ylamino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 250::US12071425, Compound 166 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 3.50 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693256 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693256&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441059 Fc1c(F)c(Oc2ncccc2-c2ccnc(N[C@H]3CCNC3)n2)ccc1NS(=O)(=O)Cc1ccccc1 |r| InChI=1S/C26H24F2N6O3S/c27-23-21(34-38(35,36)16-17-5-2-1-3-6-17)8-9-22(24(23)28)37-25-19(7-4-12-30-25)20-11-14-31-26(33-20)32-18-10-13-29-15-18/h1-9,11-12,14,18,29,34H,10,13,15-16H2,(H,31,32,33) TYVVKVVYKCEJTL-UHFFFAOYSA-N 693257 (S)-N-(2,3-difluoro-4-((3-(2-(pyrrolidin- 3-ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-1- phenylmethanesulfonamide::US12071425, Compound 167 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 17.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693257 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693257&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441060 CN1CCC(CC1)Nc1nccc(n1)-c1cccnc1Oc1ccc(NS(=O)(=O)Cc2ccccc2)c(F)c1F InChI=1S/C28H28F2N6O3S/c1-36-16-12-20(13-17-36)33-28-32-15-11-22(34-28)21-8-5-14-31-27(21)39-24-10-9-23(25(29)26(24)30)35-40(37,38)18-19-6-3-2-4-7-19/h2-11,14-15,20,35H,12-13,16-18H2,1H3,(H,32,33,34) HTRGBOTWEOMPHC-UHFFFAOYSA-N 693258 N-(2,3-difluoro-4-((3-(2-((1- methylpiperidin-4-yl)amino)pyrimidin-4- yl)pyridin-2-yl)oxy)phenyl)-1- phenylmethanesulfonamide::US12071425, Compound 168 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 67.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693258 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693258&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441061 N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cccnc1Oc1ccc(NS(=O)(=O)Cc2ccccc2)c(F)c1F |r,wU:1.0,wD:4.7,(-9.14,-5.33,;-8.37,-4,;-9.14,-2.67,;-8.37,-1.33,;-6.83,-1.33,;-6.06,-2.67,;-6.83,-4,;-6.06,,;-4.52,,;-3.75,1.33,;-2.21,1.33,;-1.44,,;-2.21,-1.33,;-3.75,-1.33,;-1.44,-2.67,;-2.21,-4,;-1.44,-5.33,;.1,-5.33,;.87,-4,;.1,-2.67,;.87,-1.33,;2.41,-1.33,;3.18,-2.67,;4.72,-2.67,;5.49,-1.33,;7.03,-1.33,;7.8,,;6.47,.77,;9.14,-.77,;8.57,1.33,;7.8,2.67,;6.26,2.67,;5.49,4,;6.26,5.33,;7.8,5.33,;8.57,4,;4.72,,;5.49,1.33,;3.18,,;2.41,1.33,)| InChI=1S/C28H28F2N6O3S/c29-25-23(36-40(37,38)17-18-5-2-1-3-6-18)12-13-24(26(25)30)39-27-21(7-4-15-32-27)22-14-16-33-28(35-22)34-20-10-8-19(31)9-11-20/h1-7,12-16,19-20,36H,8-11,17,31H2,(H,33,34,35) NQJJHIAONSMPTQ-UHFFFAOYSA-N 693259 N-(4-((3-(2-(((1r,4r)-4- aminocyclohexyl)amino)pyrimidin-4- yl)pyridin-2-yl)oxy)-2,3-difluorophenyl)- 1-phenylmethanesulfonamide::US12071425, Compound 169 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 4.10 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693259 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693259&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441062 CN1CCC[C@@H](C1)Nc1nccc(n1)-c1cccnc1Oc1ccc(NS(=O)(=O)Cc2ccccc2)c(F)c1F |r| InChI=1S/C28H28F2N6O3S/c1-36-16-6-9-20(17-36)33-28-32-15-13-22(34-28)21-10-5-14-31-27(21)39-24-12-11-23(25(29)26(24)30)35-40(37,38)18-19-7-3-2-4-8-19/h2-5,7-8,10-15,20,35H,6,9,16-18H2,1H3,(H,32,33,34) DEILLLMYPWQYRK-UHFFFAOYSA-N 693260 (S)-N-(2,3-difluoro-4-((3-(2-((1- methylpiperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2-yl)oxy)phenyl)-1- phenylmethanesulfonamide::US12071425, Compound 170 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 11.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693260 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693260&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441063 NCCNc1nccc(n1)-c1cccnc1Oc1ccc(NS(=O)(=O)Cc2ccccc2)c(F)c1F InChI=1S/C24H22F2N6O3S/c25-21-19(32-36(33,34)15-16-5-2-1-3-6-16)8-9-20(22(21)26)35-23-17(7-4-12-28-23)18-10-13-29-24(31-18)30-14-11-27/h1-10,12-13,32H,11,14-15,27H2,(H,29,30,31) JDRIUFZMZHSKTC-UHFFFAOYSA-N 693261 N-(4-((3-(2-((2- aminoethyl)amino)pyrimidin-4- yl)pyridin-2-yl)oxy)-2,3-difluorophenyl)- 1-phenylmethanesulfonamide::US12071425, Compound 171 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 180 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693261 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693261&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441064 CNCCNc1nccc(n1)-c1cccnc1Oc1ccc(NS(=O)(=O)Cc2ccccc2)c(F)c1F InChI=1S/C25H24F2N6O3S/c1-28-14-15-31-25-30-13-11-19(32-25)18-8-5-12-29-24(18)36-21-10-9-20(22(26)23(21)27)33-37(34,35)16-17-6-3-2-4-7-17/h2-13,28,33H,14-16H2,1H3,(H,30,31,32) LRLQPLVZFUFAOB-UHFFFAOYSA-N 693262 N-(2,3-difluoro-4-((3-(2-(2- (methylamino)ethylamino)pyrimidin-4- yl)-2-pyridyl)oxy)phenyl)-1-phenyl- methanesulfonamide::US12071425, Compound 172 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 42.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693262 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693262&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441065 Fc1c(F)c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc1NS(=O)(=O)CC1CCC1 |r| InChI=1S/C25H28F2N6O3S/c26-22-20(33-37(34,35)15-16-4-1-5-16)8-9-21(23(22)27)36-24-18(7-3-12-29-24)19-10-13-30-25(32-19)31-17-6-2-11-28-14-17/h3,7-10,12-13,16-17,28,33H,1-2,4-6,11,14-15H2,(H,30,31,32) IRRAFJSSBCIWEH-UHFFFAOYSA-N 693263 (S)-1-cyclobutyl-N-(2,3-difluoro-4-((3- (2-(piperidin-3-ylamino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 173 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 8.30 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693263 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693263&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441066 C[C@@]1(F)CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1ccc(NS(=O)(=O)Cc2ccccc2)c(F)c1F |r| InChI=1S/C28H27F3N6O3S/c1-28(31)14-19(15-32-17-28)35-27-34-13-11-21(36-27)20-8-5-12-33-26(20)40-23-10-9-22(24(29)25(23)30)37-41(38,39)16-18-6-3-2-4-7-18/h2-13,19,32,37H,14-17H2,1H3,(H,34,35,36) OYJXUDWOCKPDFQ-UHFFFAOYSA-N 693264 N-(2,3-difluoro-4-((3-(2-(((3S,5S)-5- fluoro-5-methylpiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-1- phenylmethanesulfonamide::US12071425, Compound 174 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 3.10 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693264 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693264&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441067 Cc1c(C)c(NS(=O)(=O)Cc2ccccc2)c(F)cc1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1 |r| InChI=1S/C29H31FN6O3S/c1-19-20(2)27(36-40(37,38)18-21-8-4-3-5-9-21)24(30)16-26(19)39-28-23(11-7-14-32-28)25-12-15-33-29(35-25)34-22-10-6-13-31-17-22/h3-5,7-9,11-12,14-16,22,31,36H,6,10,13,17-18H2,1-2H3,(H,33,34,35) HTJCDURMQMSLKC-UHFFFAOYSA-N 693265 (S)-N-(6-fluoro-2,3-dimethyl-4-((3-(2- (piperidin-3-ylamino)pyrimidin-4- yl)pyridin-2-yl)oxy)phenyl)-1- phenylmethanesulfonamide::US12071425, Compound 175 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 5.20 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693265 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693265&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441068 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F |r| InChI=1S/C27H24F4N6O3S/c28-17-11-18(14-32-13-17)35-27-34-10-8-21(36-27)19-7-4-9-33-26(19)40-22-12-20(29)25(24(31)23(22)30)37-41(38,39)15-16-5-2-1-3-6-16/h1-10,12,17-18,32,37H,11,13-15H2,(H,34,35,36) RBOAUACOQMQNBF-UHFFFAOYSA-N 693266 1-phenyl-N-(2,3,6-trifluoro-4-((3-(2- (((3S,5S)-5-fluoropiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 176 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 2.50 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693266 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693266&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441069 C[C@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1c(C)cc(NS(=O)(=O)Cc2ccccc2)c(F)c1F |r| InChI=1S/C29H30F2N6O3S/c1-18-13-21(16-32-15-18)35-29-34-12-10-23(36-29)22-9-6-11-33-28(22)40-27-19(2)14-24(25(30)26(27)31)37-41(38,39)17-20-7-4-3-5-8-20/h3-12,14,18,21,32,37H,13,15-17H2,1-2H3,(H,34,35,36) SGCILZHUQCXGTR-UHFFFAOYSA-N 693267 N-(2,3-difluoro-5-methyl-4-((3-(2- (((3S,5R)-5-methyl-3- piperidyl)amino)pyrimidin-4-yl)-2- pyridyl)oxy)phenyl)-1-phenyl- methanesulfonamide::US12071425, Compound 177 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 4.90 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693267 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693267&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441070 Cc1cc(NS(=O)(=O)Cc2ccccc2)c(F)c(F)c1Oc1ncccc1-c1ccnc(N[C@@H]2CNC[C@@H](F)C2)n1 |r| InChI=1S/C28H27F3N6O3S/c1-17-12-23(37-41(38,39)16-18-6-3-2-4-7-18)24(30)25(31)26(17)40-27-21(8-5-10-33-27)22-9-11-34-28(36-22)35-20-13-19(29)14-32-15-20/h2-12,19-20,32,37H,13-16H2,1H3,(H,34,35,36) RQULBHDTMUQMEM-UHFFFAOYSA-N 693268 N-(2,3-difluoro-4-((3-(2-(((3S,5S)-5- fluoro-3-piperidyl)amino)pyrimidin-4- yl)-2-pyridyl)oxy)-5-methyl-phenyl)-1- phenyl-methanesulfonamide::US12071425, Compound 178 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 3.50 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693268 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693268&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441071 Cc1c(F)c(NS(=O)(=O)Cc2ccccc2)c(F)cc1Oc1ncccc1-c1ccnc(N[C@@H]2CNC[C@@H](F)C2)n1 |r| InChI=1S/C28H27F3N6O3S/c1-17-24(13-22(30)26(25(17)31)37-41(38,39)16-18-6-3-2-4-7-18)40-27-21(8-5-10-33-27)23-9-11-34-28(36-23)35-20-12-19(29)14-32-15-20/h2-11,13,19-20,32,37H,12,14-16H2,1H3,(H,34,35,36) SVGRBYRZCHLMIH-UHFFFAOYSA-N 693269 N-(2,6-difluoro-4-((3-(2-(((3S,5S)-5- fluoro-3-piperidyl)amino)pyrimidin-4- yl)-2-pyridyl)oxy)-3-methyl-phenyl)-1- phenyl-methanesulfonamide::US12071425, Compound 179 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 4.30 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693269 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693269&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441072 Fc1c(F)c(Oc2ncccc2-c2ccnc(NC3CCNCC3)n2)ccc1NS(=O)(=O)Cc1ccccc1 InChI=1S/C27H26F2N6O3S/c28-24-22(35-39(36,37)17-18-5-2-1-3-6-18)8-9-23(25(24)29)38-26-20(7-4-13-31-26)21-12-16-32-27(34-21)33-19-10-14-30-15-11-19/h1-9,12-13,16,19,30,35H,10-11,14-15,17H2,(H,32,33,34) NDANOLSBHCXMMS-UHFFFAOYSA-N 693270 N-(2,3-difluoro-4-((3-(2-(4- piperidylamino)pyrimidin-4-yl)-2- pyridyl)oxy)phenyl)-1-phenyl- methanesulfonamide::US12071425, Compound 180 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 38.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693270 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693270&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441073 Fc1c(F)c(Oc2ncccc2-c2ccnc(N[C@H]3CCC(=O)NC3)n2)ccc1NS(=O)(=O)Cc1ccccc1 |r| InChI=1S/C27H24F2N6O4S/c28-24-21(35-40(37,38)16-17-5-2-1-3-6-17)9-10-22(25(24)29)39-26-19(7-4-13-30-26)20-12-14-31-27(34-20)33-18-8-11-23(36)32-15-18/h1-7,9-10,12-14,18,35H,8,11,15-16H2,(H,32,36)(H,31,33,34) KVPOXLGVHAKVDN-UHFFFAOYSA-N 693271 (S)-N-(2,3-difluoro-4-((3-(2-((6- oxopiperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2-yl)oxy)phenyl)-1- phenylmethanesulfonamide::US12071425, Compound 181 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 36.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693271 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693271&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441074 O[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cccnc1Oc1ccc(NS(=O)(=O)Cc2ccccc2)c(F)c1F |r,wU:1.0,wD:4.7,(-9.14,-5.33,;-8.37,-4,;-9.14,-2.67,;-8.37,-1.33,;-6.83,-1.33,;-6.06,-2.67,;-6.83,-4,;-6.06,,;-4.52,,;-3.75,1.33,;-2.21,1.33,;-1.44,,;-2.21,-1.33,;-3.75,-1.33,;-1.44,-2.67,;-2.21,-4,;-1.44,-5.33,;.1,-5.33,;.87,-4,;.1,-2.67,;.87,-1.33,;2.41,-1.33,;3.18,-2.67,;4.72,-2.67,;5.49,-1.33,;7.03,-1.33,;7.8,,;6.47,.77,;9.14,-.77,;8.57,1.33,;7.8,2.67,;8.57,4,;7.8,5.33,;6.26,5.33,;5.49,4,;6.26,2.67,;4.72,,;5.49,1.33,;3.18,,;2.41,1.33,)| InChI=1S/C28H27F2N5O4S/c29-25-23(35-40(37,38)17-18-5-2-1-3-6-18)12-13-24(26(25)30)39-27-21(7-4-15-31-27)22-14-16-32-28(34-22)33-19-8-10-20(36)11-9-19/h1-7,12-16,19-20,35-36H,8-11,17H2,(H,32,33,34) NMNFEZUGDYLJJX-UHFFFAOYSA-N 693272 N-(2,3-difluoro-4-((3-(2-(((1r,4r)-4- hydroxycyclohexyl)amino)pyrimidin-4- yl)pyridin-2-yl)oxy)phenyl)-1- phenylmethanesulfonamide::US12071425, Compound 182 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 9.50 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693272 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693272&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441075 Fc1c(F)c(NS(=O)(=O)Cc2ccccc2)ccc1Nc1ncccc1-c1ccnc(N[C@@H]2CNCC(F)(F)C2)n1 |r| InChI=1S/C27H25F4N7O2S/c28-23-21(8-9-22(24(23)29)38-41(39,40)15-17-5-2-1-3-6-17)36-25-19(7-4-11-33-25)20-10-12-34-26(37-20)35-18-13-27(30,31)16-32-14-18/h1-12,18,32,38H,13-16H2,(H,33,36)(H,34,35,37) IOJQWHIMDDYCIM-UHFFFAOYSA-N 693273 (S)-N-(4-((3-(2-((5,5-difluoropiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)-2,3-difluorophenyl)-1- phenylmethanesulfonamide::US12071425, Compound 183 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 8.50 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693273 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693273&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441076 CN(C)CCNc1nccc(n1)-c1cccnc1Oc1ccc(NS(=O)(=O)Cc2ccccc2)c(F)c1F InChI=1S/C26H26F2N6O3S/c1-34(2)16-15-31-26-30-14-12-20(32-26)19-9-6-13-29-25(19)37-22-11-10-21(23(27)24(22)28)33-38(35,36)17-18-7-4-3-5-8-18/h3-14,33H,15-17H2,1-2H3,(H,30,31,32) MEJVZYJCRRBIIF-UHFFFAOYSA-N 693274 N-(4-((3-(2-((2- (dimethylamino)ethyl)amino)pyrimidin- 4-yl)pyridin-2-yl)oxy)-2,3- difluorophenyl)-1- phenylmethanesulfonamide::US12071425, Compound 184 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 57.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693274 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693274&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441077 Fc1c(F)c(Oc2ncccc2-c2ccnc(NC34CC3CNC4)n2)ccc1NS(=O)(=O)Cc1ccccc1 InChI=1S/C27H24F2N6O3S/c28-23-21(35-39(36,37)15-17-5-2-1-3-6-17)8-9-22(24(23)29)38-25-19(7-4-11-31-25)20-10-12-32-26(33-20)34-27-13-18(27)14-30-16-27/h1-12,18,30,35H,13-16H2,(H,32,33,34) JSLDEAHUTXETMH-UHFFFAOYSA-N 693275 US12071425, Compound 186::N-(4-((3-(2-(3-azabicyclo[3.1.0]hexan-5- ylamino)pyrimidin-4-yl)-2-pyridyl)oxy)- 2,3-difluoro-phenyl)-1-phenyl- methanesulfonamide::US12071425, Compound 185 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 9.40 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693275 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693275&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441078 Fc1c(F)c(Oc2ncccc2-c2ccnc(NC34CC3CNC4)n2)ccc1NS(=O)(=O)Cc1ccccc1 InChI=1S/C27H24F2N6O3S/c28-23-21(35-39(36,37)15-17-5-2-1-3-6-17)8-9-22(24(23)29)38-25-19(7-4-11-31-25)20-10-12-32-26(33-20)34-27-13-18(27)14-30-16-27/h1-12,18,30,35H,13-16H2,(H,32,33,34) JSLDEAHUTXETMH-UHFFFAOYSA-N 693275 US12071425, Compound 186::N-(4-((3-(2-(3-azabicyclo[3.1.0]hexan-5- ylamino)pyrimidin-4-yl)-2-pyridyl)oxy)- 2,3-difluoro-phenyl)-1-phenyl- methanesulfonamide::US12071425, Compound 185 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 20.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693275 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693275&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441079 Fc1c(F)c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc1NS(=O)(=O)Cc1ccccc1C#N |r| InChI=1S/C28H25F2N7O3S/c29-25-23(37-41(38,39)17-19-6-2-1-5-18(19)15-31)9-10-24(26(25)30)40-27-21(8-4-13-33-27)22-11-14-34-28(36-22)35-20-7-3-12-32-16-20/h1-2,4-6,8-11,13-14,20,32,37H,3,7,12,16-17H2,(H,34,35,36) RVDZHRCNROCFDY-UHFFFAOYSA-N 693277 (S)-1-(2-cyanophenyl)-N-(2,3-difluoro-4- ((3-(2-(piperidin-3-ylamino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 187 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 2.90 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693277 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693277&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441080 Fc1c(F)c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc1NS(=O)(=O)CC1(F)CC1 |r| InChI=1S/C24H25F3N6O3S/c25-20-18(33-37(34,35)14-24(27)8-9-24)5-6-19(21(20)26)36-22-16(4-2-11-29-22)17-7-12-30-23(32-17)31-15-3-1-10-28-13-15/h2,4-7,11-12,15,28,33H,1,3,8-10,13-14H2,(H,30,31,32) LKLZVTFJGKUXDX-UHFFFAOYSA-N 693278 (S)-N-(2,3-difluoro-4-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-1-(1- fluorocyclopropyl)methanesulfonamide::US12071425, Compound 188 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 11.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693278 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693278&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441081 CCC(F)(F)CS(=O)(=O)Nc1c(F)cc(Oc2ncccc2-c2ccnc(N[C@@H]3CNC[C@@H](F)C3)n2)c(F)c1F |r| InChI=1S/C24H24F6N6O3S/c1-2-24(29,30)12-40(37,38)36-21-16(26)9-18(19(27)20(21)28)39-22-15(4-3-6-32-22)17-5-7-33-23(35-17)34-14-8-13(25)10-31-11-14/h3-7,9,13-14,31,36H,2,8,10-12H2,1H3,(H,33,34,35) TTYJIVOLQYRWBP-UHFFFAOYSA-N 693279 2,2-difluoro-N-(2,3,6-trifluoro-4-((3-(2- (((3S,5S)-5-fluoro-3- piperidyl)amino)pyrimidin-4-yl)-2- pyridyl)oxy)phenyl)butane-1- sulfonamide::US12071425, Compound 189 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 5.00 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693279 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693279&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441082 C[C@@]1(F)CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F |r| InChI=1S/C28H26F4N6O3S/c1-28(32)13-18(14-33-16-28)36-27-35-11-9-21(37-27)19-8-5-10-34-26(19)41-22-12-20(29)25(24(31)23(22)30)38-42(39,40)15-17-6-3-2-4-7-17/h2-12,18,33,38H,13-16H2,1H3,(H,35,36,37) QMBRTFKFUROCJI-UHFFFAOYSA-N 693280 1-phenyl-N-(2,3,6-trifluoro-4-((3-(2- (((3S,5S)-5-fluoro-5-methyl-3- piperidyl)amino)pyrimidin-4-yl)-2- pyridyl)oxy)phenyl)methanesulfonamide::US12071425, Compound 190 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 4.70 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693280 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693280&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441083 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccc(cc2)C#N)c(F)c1F |r| InChI=1S/C28H23F4N7O3S/c29-18-10-19(14-34-13-18)37-28-36-9-7-22(38-28)20-2-1-8-35-27(20)42-23-11-21(30)26(25(32)24(23)31)39-43(40,41)15-17-5-3-16(12-33)4-6-17/h1-9,11,18-19,34,39H,10,13-15H2,(H,36,37,38) YFBPFBFYTAHATQ-UHFFFAOYSA-N 693281 1-(4-cyanophenyl)-N-(2,3,6-trifluoro-4- ((3-(2-(((3S,5S)-5-fluoropiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 191 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 4.30 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693281 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693281&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441084 Fc1c(F)c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc1NS(=O)(=O)CC1CCC1(F)F |r| InChI=1S/C25H26F4N6O3S/c26-21-19(35-39(36,37)14-15-7-9-25(15,28)29)5-6-20(22(21)27)38-23-17(4-2-11-31-23)18-8-12-32-24(34-18)33-16-3-1-10-30-13-16/h2,4-6,8,11-12,15-16,30,35H,1,3,7,9-10,13-14H2,(H,32,33,34) ACKHDGAXPBPFPI-UHFFFAOYSA-N 693282 N-(2,3-difluoro-4-((3-(2-(((S)-piperidin- 3-yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-1-(2,2- difluorocyclobutyl)methanesulfonamide::US12071425, Compound 192 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 9.70 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693282 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693282&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441085 F[C@H]1CNC[C@@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F |r| InChI=1S/C27H24F4N6O3S/c28-17-11-18(14-32-13-17)35-27-34-10-8-21(36-27)19-7-4-9-33-26(19)40-22-12-20(29)25(24(31)23(22)30)37-41(38,39)15-16-5-2-1-3-6-16/h1-10,12,17-18,32,37H,11,13-15H2,(H,34,35,36) RBOAUACOQMQNBF-UHFFFAOYSA-N 693283 1-phenyl-N-(2,3,6-trifluoro-4-((3-(2- (((3R,5R)-5-fluoro-3- piperidyl)amino)pyrimidin-4-yl)-2- pyridyl)oxy)phenyl)methanesulfonamide::US12071425, Compound 193 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 33.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693283 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693283&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441086 CCC(F)(F)CS(=O)(=O)Nc1c(F)cc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c(F)c1F |r| InChI=1S/C24H25F5N6O3S/c1-2-24(28,29)13-39(36,37)35-21-16(25)11-18(19(26)20(21)27)38-22-15(6-4-9-31-22)17-7-10-32-23(34-17)33-14-5-3-8-30-12-14/h4,6-7,9-11,14,30,35H,2-3,5,8,12-13H2,1H3,(H,32,33,34) SJMSJTARACKVMH-UHFFFAOYSA-N 693284 (S)-2,2-difluoro-N-(2,3,6-trifluoro-4-((3- (2-(piperidin-3-ylamino)pyrimidin-4- yl)pyridin-2-yl)oxy)phenyl)butane-1- sulfonamide::US12071425, Compound 194 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 4.00 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693284 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693284&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441087 Cc1cc(CS(=O)(=O)Nc2c(F)cc(Oc3ncccc3-c3ccnc(N[C@H]4CCCNC4)n3)c(F)c2F)no1 |r| InChI=1S/C25H24F3N7O4S/c1-14-10-16(34-39-14)13-40(36,37)35-23-18(26)11-20(21(27)22(23)28)38-24-17(5-3-8-30-24)19-6-9-31-25(33-19)32-15-4-2-7-29-12-15/h3,5-6,8-11,15,29,35H,2,4,7,12-13H2,1H3,(H,31,32,33) FPZCRXREKZVVNJ-UHFFFAOYSA-N 693285 (S)-1-(5-methylisoxazol-3-yl)-N-(2,3,6- trifluoro-4-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 195 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 4.60 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693285 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693285&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441088 Fc1cc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c(F)c(F)c1NS(=O)(=O)Cc1ccc(nc1)C(F)(F)F |r| InChI=1S/C27H23F6N7O3S/c28-18-11-20(22(29)23(30)24(18)40-44(41,42)14-15-5-6-21(37-12-15)27(31,32)33)43-25-17(4-2-9-35-25)19-7-10-36-26(39-19)38-16-3-1-8-34-13-16/h2,4-7,9-12,16,34,40H,1,3,8,13-14H2,(H,36,38,39) VHWXPFQTKPGAFN-UHFFFAOYSA-N 693286 (S)-N-(2,3,6-trifluoro-4-((3-(2-(piperidin- 3-ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-1-(6- (trifluoromethyl)pyridin-3- yl)methanesulfonamide::US12071425, Compound 196 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 2.50 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693286 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693286&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441089 Fc1c(CNC(=O)C2CC2)cccc1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1 |r| InChI=1S/C25H27FN6O2/c26-22-17(14-30-23(33)16-8-9-16)4-1-7-21(22)34-24-19(6-3-12-28-24)20-10-13-29-25(32-20)31-18-5-2-11-27-15-18/h1,3-4,6-7,10,12-13,16,18,27H,2,5,8-9,11,14-15H2,(H,30,33)(H,29,31,32) BDKHCYRLACJASE-UHFFFAOYSA-N 693287 (S)-N-(2-fluoro-3-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)benzyl)cyclopropanecarboxamide::US12071425, Compound 197 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 490 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693287 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693287&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441090 Fc1cc(Oc2ncccc2-c2ccnc(CC3CCCNC3)n2)c(F)c(F)c1NS(=O)(=O)Cc1ccccc1 InChI=1S/C28H26F3N5O3S/c29-21-15-23(25(30)26(31)27(21)36-40(37,38)17-18-6-2-1-3-7-18)39-28-20(9-5-12-34-28)22-10-13-33-24(35-22)14-19-8-4-11-32-16-19/h1-3,5-7,9-10,12-13,15,19,32,36H,4,8,11,14,16-17H2 FZZLPAWFJYREKU-UHFFFAOYSA-N 693288 US12071425, Compound 199::1-phenyl-N-(2,3,6-trifluoro-4-((3-(2- (piperidin-3-ylmethyl)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 198 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 1300 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693288 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693288&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441091 Fc1cc(Oc2ncccc2-c2ccnc(CC3CCCNC3)n2)c(F)c(F)c1NS(=O)(=O)Cc1ccccc1 InChI=1S/C28H26F3N5O3S/c29-21-15-23(25(30)26(31)27(21)36-40(37,38)17-18-6-2-1-3-7-18)39-28-20(9-5-12-34-28)22-10-13-33-24(35-22)14-19-8-4-11-32-16-19/h1-3,5-7,9-10,12-13,15,19,32,36H,4,8,11,14,16-17H2 FZZLPAWFJYREKU-UHFFFAOYSA-N 693288 US12071425, Compound 199::1-phenyl-N-(2,3,6-trifluoro-4-((3-(2- (piperidin-3-ylmethyl)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 198 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 110 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693288 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693288&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441092 OC(CNc1cccc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c1F)C(F)(F)F |r| InChI=1S/C23H24F4N6O2/c24-20-17(31-13-19(34)23(25,26)27)6-1-7-18(20)35-21-15(5-3-10-29-21)16-8-11-30-22(33-16)32-14-4-2-9-28-12-14/h1,3,5-8,10-11,14,19,28,31,34H,2,4,9,12-13H2,(H,30,32,33) ZGEMTSCIFWTDBQ-UHFFFAOYSA-N 693290 US12071425, Compound 200::US12071425, Compound 201::1,1,1-trifluoro-3-((2-fluoro-3-((3-(2- (((S)-piperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)amino)propan-2-ol Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 530 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693290 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693290&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441093 OC(CNc1cccc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c1F)C(F)(F)F |r| InChI=1S/C23H24F4N6O2/c24-20-17(31-13-19(34)23(25,26)27)6-1-7-18(20)35-21-15(5-3-10-29-21)16-8-11-30-22(33-16)32-14-4-2-9-28-12-14/h1,3,5-8,10-11,14,19,28,31,34H,2,4,9,12-13H2,(H,30,32,33) ZGEMTSCIFWTDBQ-UHFFFAOYSA-N 693290 US12071425, Compound 200::US12071425, Compound 201::1,1,1-trifluoro-3-((2-fluoro-3-((3-(2- (((S)-piperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)amino)propan-2-ol Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 210 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693290 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693290&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441094 C[C@@]1(F)CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)CC2CCC2)c(F)c1F |r| InChI=1S/C26H28F4N6O3S/c1-26(30)11-16(12-31-14-26)34-25-33-9-7-19(35-25)17-6-3-8-32-24(17)39-20-10-18(27)23(22(29)21(20)28)36-40(37,38)13-15-4-2-5-15/h3,6-10,15-16,31,36H,2,4-5,11-14H2,1H3,(H,33,34,35) JHVUGXYLUFGPMV-UHFFFAOYSA-N 693292 1-cyclobutyl-N-(2,3,6-trifluoro-4-((3-(2- (((3S,5S)-5-fluoro-5-methylpiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 202 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 4.40 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693292 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693292&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441095 Cc1cc(CS(=O)(=O)Nc2c(F)cc(Oc3ncccc3-c3ccnc(N[C@@H]4CNC[C@@](C)(F)C4)n3)c(F)c2F)no1 |r| InChI=1S/C26H25F4N7O4S/c1-14-8-15(36-41-14)12-42(38,39)37-23-18(27)9-20(21(28)22(23)29)40-24-17(4-3-6-32-24)19-5-7-33-25(35-19)34-16-10-26(2,30)13-31-11-16/h3-9,16,31,37H,10-13H2,1-2H3,(H,33,34,35) BASXAZJVHVFIBE-UHFFFAOYSA-N 693293 1-(5-methylisoxazol-3-yl)-N-(2,3,6- trifluoro-4-((3-(2-(((3S,5S)-5-fluoro-5- methylpiperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 203 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 3.30 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693293 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693293&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441096 Cc1cc(CS(=O)(=O)Nc2c(F)cc(Oc3ncccc3-c3ccnc(N[C@@H]4CNC[C@@H](F)C4)n3)c(F)c2F)no1 |r| InChI=1S/C25H23F4N7O4S/c1-13-7-16(35-40-13)12-41(37,38)36-23-18(27)9-20(21(28)22(23)29)39-24-17(3-2-5-31-24)19-4-6-32-25(34-19)33-15-8-14(26)10-30-11-15/h2-7,9,14-15,30,36H,8,10-12H2,1H3,(H,32,33,34) VOXZCWSBANKMGE-UHFFFAOYSA-N 693294 1-(5-methylisoxazol-3-yl)-N-(2,3,6- trifluoro-4-((3-(2-(((3S,5S)-5- fluoropiperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 204 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 4.10 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693294 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693294&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441097 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)CCC(F)(F)F)c(F)c1F |r| InChI=1S/C23H21F7N6O3S/c24-12-8-13(11-31-10-12)34-22-33-6-3-16(35-22)14-2-1-5-32-21(14)39-17-9-15(25)20(19(27)18(17)26)36-40(37,38)7-4-23(28,29)30/h1-3,5-6,9,12-13,31,36H,4,7-8,10-11H2,(H,33,34,35) WUVWNDHBXRMKOB-UHFFFAOYSA-N 693295 3,3,3-trifluoro-N-(2,3,6-trifluoro-4-((3- (2-(((3S,5S)-5-fluoro-3- piperidyl)amino)pyrimidin-4-yl)-2- pyridyl)oxy)phenyl)propane-1- sulfonamide::US12071425, Compound 205 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 4.40 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693295 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693295&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441098 Fc1cc(F)cc(c1)S(=O)(=O)Nc1ccc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c(F)c1F |r| InChI=1S/C26H22F4N6O3S/c27-15-11-16(28)13-18(12-15)40(37,38)36-21-5-6-22(24(30)23(21)29)39-25-19(4-2-9-32-25)20-7-10-33-26(35-20)34-17-3-1-8-31-14-17/h2,4-7,9-13,17,31,36H,1,3,8,14H2,(H,33,34,35) UDJCZSSXBLVPIS-UHFFFAOYSA-N 693296 (S)-N-(2,3-difluoro-4-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-3,5- difluorobenzenesulfonamide::US12071425, Compound 206 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 8.20 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693296 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693296&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441099 Fc1c(F)c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1 |r| InChI=1S/C27H23F5N6O4S/c28-23-21(38-43(39,40)18-6-1-5-17(14-18)42-27(30,31)32)8-9-22(24(23)29)41-25-19(7-3-12-34-25)20-10-13-35-26(37-20)36-16-4-2-11-33-15-16/h1,3,5-10,12-14,16,33,38H,2,4,11,15H2,(H,35,36,37) RYLNUBFESHINLG-UHFFFAOYSA-N 693297 (S)-N-(2,3-difluoro-4-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- y)oxy)phenyl)-3- (trifluoromethoxy)benzenesulfonamide::US12071425, Compound 207 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 7.40 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693297 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693297&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441100 FC(F)Oc1cccc(c1)S(=O)(=O)Nc1ccc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c(F)c1F |r| InChI=1S/C27H24F4N6O4S/c28-23-21(37-42(38,39)18-6-1-5-17(14-18)40-26(30)31)8-9-22(24(23)29)41-25-19(7-3-12-33-25)20-10-13-34-27(36-20)35-16-4-2-11-32-15-16/h1,3,5-10,12-14,16,26,32,37H,2,4,11,15H2,(H,34,35,36) YETSXMSQOBUXED-UHFFFAOYSA-N 693298 (S)-N-(2,3-difluoro-4-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-3- (difluoromethoxy)benzenesulfonamide::US12071425, Compound 208 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 11.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693298 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693298&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441101 Fc1c(F)c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc1NS(=O)(=O)CC1CC2(CCC2)C1 |r| InChI=1S/C28H32F2N6O3S/c29-24-22(36-40(37,38)17-18-14-28(15-18)9-3-10-28)6-7-23(25(24)30)39-26-20(5-2-12-32-26)21-8-13-33-27(35-21)34-19-4-1-11-31-16-19/h2,5-8,12-13,18-19,31,36H,1,3-4,9-11,14-17H2,(H,33,34,35) ADXKUFPBXCSQLJ-UHFFFAOYSA-N 693299 (S)-N-(2,3-difluoro-4-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-1-(spiro[3.3]heptan-2- yl)methanesulfonamide::US12071425, Compound 209 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 7.50 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693299 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693299&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441102 CC(C)(CCS(=O)(=O)Nc1ccc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c(F)c1F)C#N |r| InChI=1S/C26H29F2N7O3S/c1-26(2,16-29)10-14-39(36,37)35-20-7-8-21(23(28)22(20)27)38-24-18(6-4-12-31-24)19-9-13-32-25(34-19)33-17-5-3-11-30-15-17/h4,6-9,12-13,17,30,35H,3,5,10-11,14-15H2,1-2H3,(H,32,33,34) GUCWDXKANDFQSE-UHFFFAOYSA-N 693300 (S)-3-cyano-N-(2,3-difluoro-4-((3-(2- (piperidin-3-ylamino)pyrimidin-4- yl)pyridin-2-yl)oxy)phenyl)-3- methylbutane-1-sulfonamide::US12071425, Compound 210 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 23.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693300 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693300&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441103 COc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c(F)c1F |r| InChI=1S/C27H26F2N6O4S/c1-38-18-6-8-19(9-7-18)40(36,37)35-22-10-11-23(25(29)24(22)28)39-26-20(5-3-14-31-26)21-12-15-32-27(34-21)33-17-4-2-13-30-16-17/h3,5-12,14-15,17,30,35H,2,4,13,16H2,1H3,(H,32,33,34) LYRQHRNHKRMWLE-UHFFFAOYSA-N 693301 (S)-N-(2,3-difluoro-4-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-4- methoxybenzenesulfonamide::US12071425, Compound 211 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 33.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693301 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693301&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441104 COc1cccc(c1)S(=O)(=O)Nc1ccc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c(F)c1F |r| InChI=1S/C27H26F2N6O4S/c1-38-18-6-2-7-19(15-18)40(36,37)35-22-9-10-23(25(29)24(22)28)39-26-20(8-4-13-31-26)21-11-14-32-27(34-21)33-17-5-3-12-30-16-17/h2,4,6-11,13-15,17,30,35H,3,5,12,16H2,1H3,(H,32,33,34) IKKDUODFODGKIC-UHFFFAOYSA-N 693302 (S)-N-(2,3-difluoro-4-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-3- methoxybenzenesulfonamide::US12071425, Compound 212 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 25.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693302 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693302&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441105 Fc1c(F)c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc1NS(=O)(=O)Cc1ccc(Cl)cc1 |r| InChI=1S/C27H25ClF2N6O3S/c28-18-7-5-17(6-8-18)16-40(37,38)36-22-9-10-23(25(30)24(22)29)39-26-20(4-2-13-32-26)21-11-14-33-27(35-21)34-19-3-1-12-31-15-19/h2,4-11,13-14,19,31,36H,1,3,12,15-16H2,(H,33,34,35) YSLSAGAYTSRPNQ-UHFFFAOYSA-N 693303 (S)-1-(4-chlorophenyl)-N-(2,3-difluoro- 4-((3-(2-(piperidin-3-ylamino)pyrimidin- 4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 213 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 5.90 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693303 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693303&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441106 Fc1c(F)c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc1NS(=O)(=O)c1cccnc1 |r| InChI=1S/C25H23F2N7O3S/c26-22-20(34-38(35,36)17-5-2-11-29-15-17)7-8-21(23(22)27)37-24-18(6-3-12-30-24)19-9-13-31-25(33-19)32-16-4-1-10-28-14-16/h2-3,5-9,11-13,15-16,28,34H,1,4,10,14H2,(H,31,32,33) QYNUCYAYKBZJHK-UHFFFAOYSA-N 693304 (S)-N-(2,3-difluoro-4-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)pyridine-3-sulfonamide::US12071425, Compound 214 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 44.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693304 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693304&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441107 Fc1c(F)c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc1NS(=O)(=O)CCC1CCCCC1 |r| InChI=1S/C28H34F2N6O3S/c29-25-23(36-40(37,38)17-13-19-6-2-1-3-7-19)10-11-24(26(25)30)39-27-21(9-5-15-32-27)22-12-16-33-28(35-22)34-20-8-4-14-31-18-20/h5,9-12,15-16,19-20,31,36H,1-4,6-8,13-14,17-18H2,(H,33,34,35) SWQHMZAGHIQBOL-UHFFFAOYSA-N 693305 (S)-2-cyclohexyl-N-(2,3-difluoro-4-((3- (2-(piperidin-3-ylamino)pyrimidin-4- yl)pyridin-2-yl)oxy)phenyl)ethane-1- sulfonamide::US12071425, Compound 215 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 11.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693305 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693305&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441108 CC(C)(CC#N)CS(=O)(=O)Nc1ccc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c(F)c1F |r| InChI=1S/C26H29F2N7O3S/c1-26(2,10-11-29)16-39(36,37)35-20-7-8-21(23(28)22(20)27)38-24-18(6-4-13-31-24)19-9-14-32-25(34-19)33-17-5-3-12-30-15-17/h4,6-9,13-14,17,30,35H,3,5,10,12,15-16H2,1-2H3,(H,32,33,34) NQSWIHZDXDKBFM-UHFFFAOYSA-N 693306 (S)-3-cyano-N-(2,3-difluoro-4-((3-(2- (piperidine-3-ylamino)pyrimidin-4- yl)pyridin-2-yl)oxy)phenyl)-2,2- dimethylpropane-1-sulfonamide::US12071425, Compound 216 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 13.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693306 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693306&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441109 Fc1c(F)c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc1NS(=O)(=O)CCC1CC1(F)F |r| InChI=1S/C25H26F4N6O3S/c26-21-19(35-39(36,37)12-8-15-13-25(15,28)29)5-6-20(22(21)27)38-23-17(4-2-10-31-23)18-7-11-32-24(34-18)33-16-3-1-9-30-14-16/h2,4-7,10-11,15-16,30,35H,1,3,8-9,12-14H2,(H,32,33,34) XZEGARGCTLJLFC-UHFFFAOYSA-N 693307 N-(2,3-difluoro-4-((3-(2-(((S)-piperidin- 3-yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-2-(2,2- difluorocyclopropyl)ethane-1- sulfonamide::US12071425, Compound 217 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 16.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693307 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693307&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441110 Fc1c(F)c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc1NS(=O)(=O)c1ccccc1 |r| InChI=1S/C26H24F2N6O3S/c27-23-21(34-38(35,36)18-7-2-1-3-8-18)10-11-22(24(23)28)37-25-19(9-5-14-30-25)20-12-15-31-26(33-20)32-17-6-4-13-29-16-17/h1-3,5,7-12,14-15,17,29,34H,4,6,13,16H2,(H,31,32,33) FSEXTZQJIXZLGP-UHFFFAOYSA-N 693308 (S)-N-(2,3-difluoro-4-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)benzenesulfonamide::US12071425, Compound 218 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 16.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693308 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693308&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441111 Fc1c(F)c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc1NS(=O)(=O)c1ccc(cc1)C#N |r| InChI=1S/C27H23F2N7O3S/c28-24-22(36-40(37,38)19-7-5-17(15-30)6-8-19)9-10-23(25(24)29)39-26-20(4-2-13-32-26)21-11-14-33-27(35-21)34-18-3-1-12-31-16-18/h2,4-11,13-14,18,31,36H,1,3,12,16H2,(H,33,34,35) WUSVPNHJWUTXID-UHFFFAOYSA-N 693309 (S)-4-cyano-N-(2,3-difluoro-4-((3-(2- (piperidin-3-ylamino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)benzenesulfonamide::US12071425, Compound 219 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 53.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693309 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693309&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441112 Fc1c(F)c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc1NS(=O)(=O)c1cccc(c1)C#N |r| InChI=1S/C27H23F2N7O3S/c28-24-22(36-40(37,38)19-6-1-4-17(14-19)15-30)8-9-23(25(24)29)39-26-20(7-3-12-32-26)21-10-13-33-27(35-21)34-18-5-2-11-31-16-18/h1,3-4,6-10,12-14,18,31,36H,2,5,11,16H2,(H,33,34,35) ARXPDMFBKYTZRK-UHFFFAOYSA-N 693310 (S)-3-cyano-N-(2,3-difluoro-4-((3-(2- (piperidin-3-ylamino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)benzenesulfonamide::US12071425, Compound 220 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 19.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693310 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693310&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441113 Cn1cnc(c1)S(=O)(=O)Nc1ccc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c(F)c1F |r| InChI=1S/C24H24F2N8O3S/c1-34-13-20(30-14-34)38(35,36)33-18-6-7-19(22(26)21(18)25)37-23-16(5-3-10-28-23)17-8-11-29-24(32-17)31-15-4-2-9-27-12-15/h3,5-8,10-11,13-15,27,33H,2,4,9,12H2,1H3,(H,29,31,32) YLQJBFDUFKMUOO-UHFFFAOYSA-N 693311 (S)-N-(2,3-difluoro-4-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-1-methyl-1H-imidazole- 4-sulfonamide::US12071425, Compound 221 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 380 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693311 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693311&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441114 Cn1cc(cn1)S(=O)(=O)Nc1ccc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c(F)c1F |r| InChI=1S/C24H24F2N8O3S/c1-34-14-16(13-30-34)38(35,36)33-19-6-7-20(22(26)21(19)25)37-23-17(5-3-10-28-23)18-8-11-29-24(32-18)31-15-4-2-9-27-12-15/h3,5-8,10-11,13-15,27,33H,2,4,9,12H2,1H3,(H,29,31,32) SNNZBQJNBCSKHX-UHFFFAOYSA-N 693312 (S)-N-(2,3-difluoro-4-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-1-methyl-1H-pyrazole-4- sulfonamide::US12071425, Compound 222 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 240 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693312 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693312&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441115 Fc1c(F)c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 |r| InChI=1S/C27H23F5N6O4S/c28-23-21(38-43(39,40)18-7-5-17(6-8-18)42-27(30,31)32)9-10-22(24(23)29)41-25-19(4-2-13-34-25)20-11-14-35-26(37-20)36-16-3-1-12-33-15-16/h2,4-11,13-14,16,33,38H,1,3,12,15H2,(H,35,36,37) OGTSSKXKZDOCGP-UHFFFAOYSA-N 693313 (S)-N-(2,3-difluoro-4-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-4- (trifluoromethoxy)benzenesulfonamide::US12071425, Compound 223 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 26.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693313 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693313&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441116 COc1ccccc1S(=O)(=O)Nc1ccc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c(F)c1F |r| InChI=1S/C27H26F2N6O4S/c1-38-21-8-2-3-9-23(21)40(36,37)35-20-10-11-22(25(29)24(20)28)39-26-18(7-5-14-31-26)19-12-15-32-27(34-19)33-17-6-4-13-30-16-17/h2-3,5,7-12,14-15,17,30,35H,4,6,13,16H2,1H3,(H,32,33,34) LPWYOXVTVMZZIS-UHFFFAOYSA-N 693314 (S)-N-(2,3-difluoro-4-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-2- methoxybenzenesulfonamide::US12071425, Compound 224 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 40.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693314 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693314&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441117 Fc1c(F)c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc1NS(=O)(=O)Cc1cccc(Cl)c1 |r| InChI=1S/C27H25ClF2N6O3S/c28-18-5-1-4-17(14-18)16-40(37,38)36-22-8-9-23(25(30)24(22)29)39-26-20(7-3-12-32-26)21-10-13-33-27(35-21)34-19-6-2-11-31-15-19/h1,3-5,7-10,12-14,19,31,36H,2,6,11,15-16H2,(H,33,34,35) CLHRDVLWBWEJIZ-UHFFFAOYSA-N 693315 (S)-1-(3-chlorophenyl)-N-(2,3-difluoro- 4-((3-(2-(piperidin-3-ylamino)pyrimidin- 4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 225 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 6.10 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693315 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693315&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441118 CC(C)(C)CCS(=O)(=O)Nc1ccc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c(F)c1F |r| InChI=1S/C26H32F2N6O3S/c1-26(2,3)11-15-38(35,36)34-20-8-9-21(23(28)22(20)27)37-24-18(7-5-13-30-24)19-10-14-31-25(33-19)32-17-6-4-12-29-16-17/h5,7-10,13-14,17,29,34H,4,6,11-12,15-16H2,1-3H3,(H,31,32,33) QRJNTJPLOVGWMX-UHFFFAOYSA-N 693316 (S)-N-(2,3-difluoro-4-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-3,3-dimethylbutane-1- sulfonamide::US12071425, Compound 226 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 18.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693316 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693316&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441119 Fc1c(F)c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc1NS(=O)(=O)c1ccccc1Cl |r| InChI=1S/C26H23ClF2N6O3S/c27-18-7-1-2-8-22(18)39(36,37)35-20-9-10-21(24(29)23(20)28)38-25-17(6-4-13-31-25)19-11-14-32-26(34-19)33-16-5-3-12-30-15-16/h1-2,4,6-11,13-14,16,30,35H,3,5,12,15H2,(H,32,33,34) UOWLEYWOPPBGOY-UHFFFAOYSA-N 693317 (S)-2-chloro-N-(2,3-difluoro-4-((3-(2- (piperidin-3-ylamino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)benzenesulfonamide::US12071425, Compound 227 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 4.80 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693317 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693317&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441120 Fc1c(F)c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc1NS(=O)(=O)CC1CCCC1 |r| InChI=1S/C26H30F2N6O3S/c27-23-21(34-38(35,36)16-17-5-1-2-6-17)9-10-22(24(23)28)37-25-19(8-4-13-30-25)20-11-14-31-26(33-20)32-18-7-3-12-29-15-18/h4,8-11,13-14,17-18,29,34H,1-3,5-7,12,15-16H2,(H,31,32,33) LBYDCZHFUTZUAP-UHFFFAOYSA-N 693318 (S)-1-cyclopentyl-N-(2,3-difluoro-4-((3- (2-(piperidin-3-ylamino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 228 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 9.20 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693318 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693318&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441121 Fc1c(F)c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc1NS(=O)(=O)Cc1cccc(c1)C#N |r| InChI=1S/C28H25F2N7O3S/c29-25-23(37-41(38,39)17-19-5-1-4-18(14-19)15-31)8-9-24(26(25)30)40-27-21(7-3-12-33-27)22-10-13-34-28(36-22)35-20-6-2-11-32-16-20/h1,3-5,7-10,12-14,20,32,37H,2,6,11,16-17H2,(H,34,35,36) NIOOMYLFONDMOU-UHFFFAOYSA-N 693319 (S)-1-(3-cyanophenyl)-N-(2,3-difluoro-4- ((3-(2-(piperidin-3-ylamino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 229 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 6.40 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693319 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693319&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441122 CC(C)(C)CCCS(=O)(=O)Nc1ccc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c(F)c1F |r| InChI=1S/C27H34F2N6O3S/c1-27(2,3)12-6-16-39(36,37)35-21-9-10-22(24(29)23(21)28)38-25-19(8-5-14-31-25)20-11-15-32-26(34-20)33-18-7-4-13-30-17-18/h5,8-11,14-15,18,30,35H,4,6-7,12-13,16-17H2,1-3H3,(H,32,33,34) HGOJEJZLGNHFSY-UHFFFAOYSA-N 693320 (S)-N-(2,3-difluoro-4-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-4,4-dimethylpentane-1- sulfonamide::US12071425, Compound 230 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 14.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693320 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693320&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441123 Fc1cccc(CS(=O)(=O)Nc2ccc(Oc3ncccc3-c3ccnc(N[C@H]4CCCNC4)n3)c(F)c2F)c1 |r| InChI=1S/C27H25F3N6O3S/c28-18-5-1-4-17(14-18)16-40(37,38)36-22-8-9-23(25(30)24(22)29)39-26-20(7-3-12-32-26)21-10-13-33-27(35-21)34-19-6-2-11-31-15-19/h1,3-5,7-10,12-14,19,31,36H,2,6,11,15-16H2,(H,33,34,35) SYRQOZWRRVTROA-UHFFFAOYSA-N 693321 (S)-N-(2,3-difluoro-4-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-1-(3- fluorophenyl)methanesulfonamide::US12071425, Compound 231 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 7.20 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693321 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693321&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441124 Fc1c(F)c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc1NS(=O)(=O)CC1CC(F)(F)C1 |r| InChI=1S/C25H26F4N6O3S/c26-21-19(35-39(36,37)14-15-11-25(28,29)12-15)5-6-20(22(21)27)38-23-17(4-2-9-31-23)18-7-10-32-24(34-18)33-16-3-1-8-30-13-16/h2,4-7,9-10,15-16,30,35H,1,3,8,11-14H2,(H,32,33,34) ZVKCKHZECXCCGH-UHFFFAOYSA-N 693322 (S)-N-(2,3-difluoro-4-(3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yloxy)phenyl)-1-(3,3- difluorocyclobutyl)methanesulfonamide::US12071425, Compound 232 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 15.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693322 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693322&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441125 Fc1c(F)c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc1NS(=O)(=O)Cc1cccnc1 |r| InChI=1S/C26H25F2N7O3S/c27-23-21(35-39(36,37)16-17-4-1-10-29-14-17)7-8-22(24(23)28)38-25-19(6-3-12-31-25)20-9-13-32-26(34-20)33-18-5-2-11-30-15-18/h1,3-4,6-10,12-14,18,30,35H,2,5,11,15-16H2,(H,32,33,34) GYJCKIWANVAEDM-UHFFFAOYSA-N 693323 (S)-N-(2,3-difluoro-4-(3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yloxy)phenyl)-1-(pyridin-3- yl)methanesulfonamide::US12071425, Compound 233 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 9.00 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693323 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693323&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441126 Fc1c(F)c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc1NS(=O)(=O)Cc1ccncc1 |r| InChI=1S/C26H25F2N7O3S/c27-23-21(35-39(36,37)16-17-7-12-29-13-8-17)5-6-22(24(23)28)38-25-19(4-2-11-31-25)20-9-14-32-26(34-20)33-18-3-1-10-30-15-18/h2,4-9,11-14,18,30,35H,1,3,10,15-16H2,(H,32,33,34) YMMYOBWQNWSUAU-UHFFFAOYSA-N 693324 (S)-N-(2,3-difluoro-4-(3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yloxy)phenyl)-1-(pyridin-4- yl)methanesulfonamide::US12071425, Compound 234 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 7.00 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693324 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693324&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441127 Fc1ccc(CS(=O)(=O)Nc2ccc(Oc3ncccc3-c3ccnc(N[C@H]4CCCNC4)n3)c(F)c2F)cc1 |r| InChI=1S/C27H25F3N6O3S/c28-18-7-5-17(6-8-18)16-40(37,38)36-22-9-10-23(25(30)24(22)29)39-26-20(4-2-13-32-26)21-11-14-33-27(35-21)34-19-3-1-12-31-15-19/h2,4-11,13-14,19,31,36H,1,3,12,15-16H2,(H,33,34,35) OPDFLDCMRQHRQN-UHFFFAOYSA-N 693325 (S)-N-(2,3-difluoro-4-(3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yloxy)phenyl)-1-(4- fluorophenyl)methanesulfonamide::US12071425, Compound 235 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 4.00 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693325 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693325&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441128 Cn1ccc(CS(=O)(=O)Nc2c(F)cc(Oc3ncccc3-c3ccnc(N[C@H]4CCCNC4)n3)c(F)c2F)n1 |r| InChI=1S/C25H25F3N8O3S/c1-36-11-7-16(34-36)14-40(37,38)35-23-18(26)12-20(21(27)22(23)28)39-24-17(5-3-9-30-24)19-6-10-31-25(33-19)32-15-4-2-8-29-13-15/h3,5-7,9-12,15,29,35H,2,4,8,13-14H2,1H3,(H,31,32,33) VDWSKIUFJMGWDZ-UHFFFAOYSA-N 693326 (S)-1-(1-methyl-1H-pyrazol-3-yl)-N- (2,3,6-trifluoro-4-(3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yloxy)phenyl)methanesulfonamide::US12071425, Compound 236 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 9.00 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693326 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693326&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441129 Cc1c(F)c(NS(=O)(=O)Cc2ccccc2)ccc1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1 |r| InChI=1S/C28H29FN6O3S/c1-19-25(12-11-24(26(19)29)35-39(36,37)18-20-7-3-2-4-8-20)38-27-22(10-6-15-31-27)23-13-16-32-28(34-23)33-21-9-5-14-30-17-21/h2-4,6-8,10-13,15-16,21,30,35H,5,9,14,17-18H2,1H3,(H,32,33,34) GYCMERFIKQCCQP-UHFFFAOYSA-N 693327 N-[2-fluoro-3-methyl-4-[[3-[2-[[(3S)-3- piperidyl]amino]pyrimidin-4-yl]-2- pyridyl]oxy]phenyl]-1 phenylmethanesulfonamide::US12071425, Compound 237 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 8.40 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693327 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693327&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441130 Fc1c(F)c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc1NS(=O)(=O)Cc1ccccn1 |r| InChI=1S/C26H25F2N7O3S/c27-23-21(35-39(36,37)16-18-5-1-2-12-30-18)8-9-22(24(23)28)38-25-19(7-4-13-31-25)20-10-14-32-26(34-20)33-17-6-3-11-29-15-17/h1-2,4-5,7-10,12-14,17,29,35H,3,6,11,15-16H2,(H,32,33,34) XEWCQLRSYBNAPL-UHFFFAOYSA-N 693328 (S)-N-(2,3-difluoro-4-(3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yloxy)phenyl)-1-(pyridin-2- yl)methanesulfonamide::US12071425, Compound 238 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 14.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693328 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693328&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441131 CCC1CCN(C1=O)c1ccc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c(F)c1F |r| InChI=1S/C26H28F2N6O2/c1-2-16-10-14-34(25(16)35)20-7-8-21(23(28)22(20)27)36-24-18(6-4-12-30-24)19-9-13-31-26(33-19)32-17-5-3-11-29-15-17/h4,6-9,12-13,16-17,29H,2-3,5,10-11,14-15H2,1H3,(H,31,32,33) RJTNXDWXBRHRNB-UHFFFAOYSA-N 693329 US12071425, Compound 249::1-(2,3-difluoro-4-((3-(2-(((S)-piperidin- 3-yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-3-ethylpyrrolidin-2-one::US12071425, Compound 248 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 45.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693329 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693329&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441132 CCC1CCN(C1=O)c1ccc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c(F)c1F |r| InChI=1S/C26H28F2N6O2/c1-2-16-10-14-34(25(16)35)20-7-8-21(23(28)22(20)27)36-24-18(6-4-12-30-24)19-9-13-31-26(33-19)32-17-5-3-11-29-15-17/h4,6-9,12-13,16-17,29H,2-3,5,10-11,14-15H2,1H3,(H,31,32,33) RJTNXDWXBRHRNB-UHFFFAOYSA-N 693329 US12071425, Compound 249::1-(2,3-difluoro-4-((3-(2-(((S)-piperidin- 3-yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-3-ethylpyrrolidin-2-one::US12071425, Compound 248 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 160 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693329 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693329&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441133 Fc1c(F)c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc1NS(=O)(=O)Cc1ccc(cc1)C#N |r| InChI=1S/C28H25F2N7O3S/c29-25-23(37-41(38,39)17-19-7-5-18(15-31)6-8-19)9-10-24(26(25)30)40-27-21(4-2-13-33-27)22-11-14-34-28(36-22)35-20-3-1-12-32-16-20/h2,4-11,13-14,20,32,37H,1,3,12,16-17H2,(H,34,35,36) LGIVCBQSTLOOOH-UHFFFAOYSA-N 693256 (S)-1-(4-cyanophenyl)-N-(2,3-difluoro-4- ((3-(2-(piperidin-3-ylamino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 250::US12071425, Compound 166 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 4.90 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693256 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693256&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441134 C[C@@]1(F)CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)CC2CC(F)(F)C2)c(F)c1F |r| InChI=1S/C26H26F6N6O3S/c1-25(30)10-15(11-33-13-25)36-24-35-6-4-18(37-24)16-3-2-5-34-23(16)41-19-7-17(27)22(21(29)20(19)28)38-42(39,40)12-14-8-26(31,32)9-14/h2-7,14-15,33,38H,8-13H2,1H3,(H,35,36,37) NWPDTCXKAMZEIU-UHFFFAOYSA-N 693332 1-(3,3-difluorocyclobutyl)-N-(2,3,6- trifluoro-4-((3-(2-(((3S,5S)-5-fluoro-5- methylpiperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 251 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 2.80 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693332 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693332&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441135 COCCS(=O)(=O)Nc1c(F)cc(Oc2ncccc2-c2ccnc(N[C@@H]3CNC[C@@H](F)C3)n2)c(F)c1F |r| InChI=1S/C23H24F4N6O4S/c1-36-7-8-38(34,35)33-21-16(25)10-18(19(26)20(21)27)37-22-15(3-2-5-29-22)17-4-6-30-23(32-17)31-14-9-13(24)11-28-12-14/h2-6,10,13-14,28,33H,7-9,11-12H2,1H3,(H,30,31,32) PLVXUEQJBDIILF-UHFFFAOYSA-N 693333 2-methoxy-N-(2,3,6-trifluoro-4-((3-(2- (((3S,5S)-5-fluoropiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)ethane-1-sulfonamide::US12071425, Compound 252 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 14.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693333 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693333&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441136 CC(F)(F)CCS(=O)(=O)Nc1c(F)cc(Oc2ncccc2-c2ccnc(N[C@@H]3CNC[C@@H](F)C3)n2)c(F)c1F |r| InChI=1S/C24H24F6N6O3S/c1-24(29,30)5-8-40(37,38)36-21-16(26)10-18(19(27)20(21)28)39-22-15(3-2-6-32-22)17-4-7-33-23(35-17)34-14-9-13(25)11-31-12-14/h2-4,6-7,10,13-14,31,36H,5,8-9,11-12H2,1H3,(H,33,34,35) JGPVYNLZINBSII-UHFFFAOYSA-N 693334 3,3-difluoro-N-(2,3,6-trifluoro-4-((3-(2- (((3S,5S)-5-fluoropiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)butane-1-sulfonamide::US12071425, Compound 253 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 1.90 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693334 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693334&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441137 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccc(nc2)C(F)(F)F)c(F)c1F |r| InChI=1S/C27H22F7N7O3S/c28-15-8-16(12-35-11-15)39-26-37-7-5-19(40-26)17-2-1-6-36-25(17)44-20-9-18(29)24(23(31)22(20)30)41-45(42,43)13-14-3-4-21(38-10-14)27(32,33)34/h1-7,9-10,15-16,35,41H,8,11-13H2,(H,37,39,40) ZEKDHHBGOLTKBP-UHFFFAOYSA-N 693335 N-(2,3,6-trifluoro-4-((3-(2-(((3S,5S)-5- fluoropiperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2-yl)oxy)phenyl)-1-(6- (trifluoromethyl)pyridin-3- yl)methanesulfonamide::US12071425, Compound 254 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.620 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693335 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693335&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441138 Cc1c(F)c(NS(=O)(=O)Cc2ccc(cc2)C#N)c(F)c(F)c1Oc1ncccc1-c1ccnc(N[C@@H]2CNC[C@@H](F)C2)n1 |r| InChI=1S/C29H25F4N7O3S/c1-16-23(31)26(40-44(41,42)15-18-6-4-17(12-34)5-7-18)24(32)25(33)27(16)43-28-21(3-2-9-36-28)22-8-10-37-29(39-22)38-20-11-19(30)13-35-14-20/h2-10,19-20,35,40H,11,13-15H2,1H3,(H,37,38,39) QXQSYFXGZDMTQR-UHFFFAOYSA-N 693336 1-(4-cyanophenyl)-N-(2,3,6-trifluoro-4- ((3-(2-(((3S,5S)-5-fluoropiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)-5- methylphenyl)methanesulfonamide::US12071425, Compound 255 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 230 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693336 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693336&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441139 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2cccnc2)c(F)c1F |r| InChI=1S/C26H23F4N7O3S/c27-16-9-17(13-32-12-16)35-26-34-8-5-20(36-26)18-4-2-7-33-25(18)40-21-10-19(28)24(23(30)22(21)29)37-41(38,39)14-15-3-1-6-31-11-15/h1-8,10-11,16-17,32,37H,9,12-14H2,(H,34,35,36) RGGLPQVVOHADEA-UHFFFAOYSA-N 693337 1-(pyridin-3-yl)-N-(2,3,6-trifluoro-4-((3- (2-(((3S,5S)-5-fluoropiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 256 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 1.000 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693337 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693337&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441140 C[C@H]1CC[C@@H](CN1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F |r| InChI=1S/C28H27F3N6O3S/c1-17-9-10-19(15-34-17)35-28-33-13-11-22(36-28)20-8-5-12-32-27(20)40-23-14-21(29)26(25(31)24(23)30)37-41(38,39)16-18-6-3-2-4-7-18/h2-8,11-14,17,19,34,37H,9-10,15-16H2,1H3,(H,33,35,36) NSYWVUFPIZTFNW-UHFFFAOYSA-N 693338 1-phenyl-N-(2,3,6-trifluoro-4-((3-(2- (((3S,6S)-6-methylpiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 257 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 24.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693338 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693338&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441141 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)N2CCCC2)c(F)c1F |r| InChI=1S/C24H25F4N7O3S/c25-14-10-15(13-29-12-14)32-24-31-7-5-18(33-24)16-4-3-6-30-23(16)38-19-11-17(26)22(21(28)20(19)27)34-39(36,37)35-8-1-2-9-35/h3-7,11,14-15,29,34H,1-2,8-10,12-13H2,(H,31,32,33) PIZZCZKANMMIRI-UHFFFAOYSA-N 693339 N-(2,3,6-trifluoro-4-((3-(2-(((3S,5S)-5- fluoropiperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2-yl)oxy)phenyl)pyrrolidine- 1-sulfonamide::US12071425, Compound 258 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 5.20 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693339 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693339&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441142 F[C@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F |r| InChI=1S/C27H24F4N6O3S/c28-17-11-18(14-32-13-17)35-27-34-10-8-21(36-27)19-7-4-9-33-26(19)40-22-12-20(29)25(24(31)23(22)30)37-41(38,39)15-16-5-2-1-3-6-16/h1-10,12,17-18,32,37H,11,13-15H2,(H,34,35,36) RBOAUACOQMQNBF-UHFFFAOYSA-N 693340 1-phenyl-N-(2,3,6-trifluoro-4-((3-(2- (((3S,5R)-5-fluoropiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 259 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 2.00 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693340 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693340&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441143 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)CC(F)(F)F)c(F)c1F |r| InChI=1S/C22H19F7N6O3S/c23-11-6-12(9-30-8-11)33-21-32-5-3-15(34-21)13-2-1-4-31-20(13)38-16-7-14(24)19(18(26)17(16)25)35-39(36,37)10-22(27,28)29/h1-5,7,11-12,30,35H,6,8-10H2,(H,32,33,34) WCKLKNJIZZJBGZ-UHFFFAOYSA-N 693341 2,2,2-trifluoro-N-(2,3,6-trifluoro-4-((3- (2-(((3S,5S)-5-fluoropiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)ethane-1-sulfonamide hydrochloride::US12071425, Compound 260 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 2.60 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693341 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693341&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441144 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)CC2(F)CC2)c(F)c1F |r| InChI=1S/C24H23F5N6O3S/c25-13-8-14(11-30-10-13)33-23-32-7-3-17(34-23)15-2-1-6-31-22(15)38-18-9-16(26)21(20(28)19(18)27)35-39(36,37)12-24(29)4-5-24/h1-3,6-7,9,13-14,30,35H,4-5,8,10-12H2,(H,32,33,34) DHEFTTGWPGQIGA-UHFFFAOYSA-N 693342 1-(1-fluorocyclopropyl)-N-(2,3,6- trifluoro-4-((3-(2-(((3S,5S)-5- fluoropiperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 261 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 3.50 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693342 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693342&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441145 FC[C@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F |r| InChI=1S/C28H26F4N6O3S/c29-13-18-11-19(15-33-14-18)36-28-35-10-8-22(37-28)20-7-4-9-34-27(20)41-23-12-21(30)26(25(32)24(23)31)38-42(39,40)16-17-5-2-1-3-6-17/h1-10,12,18-19,33,38H,11,13-16H2,(H,35,36,37) RLYAIHDUTSGWSP-UHFFFAOYSA-N 693343 1-phenyl-N-(2,3,6-trifluoro-4-((3-(2- (((3S,5R)-5-(fluoromethyl)piperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 262 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.250 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693343 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693343&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441146 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)N2CCCCC2)c(F)c1F |r| InChI=1S/C25H27F4N7O3S/c26-15-11-16(14-30-13-15)33-25-32-8-6-19(34-25)17-5-4-7-31-24(17)39-20-12-18(27)23(22(29)21(20)28)35-40(37,38)36-9-2-1-3-10-36/h4-8,12,15-16,30,35H,1-3,9-11,13-14H2,(H,32,33,34) XSUUTRRDKWYPAU-UHFFFAOYSA-N 693344 N-(2,3,6-trifluoro-4-((3-(2-(((3S,5S)-5- fluoropiperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2-yl)oxy)phenyl)piperidine-1- sulfonamide::US12071425, Compound 263 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 1.50 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693344 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693344&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441147 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)CC2CCC2(F)F)c(F)c1F |r| InChI=1S/C25H24F6N6O3S/c26-14-8-15(11-32-10-14)35-24-34-7-4-18(36-24)16-2-1-6-33-23(16)40-19-9-17(27)22(21(29)20(19)28)37-41(38,39)12-13-3-5-25(13,30)31/h1-2,4,6-7,9,13-15,32,37H,3,5,8,10-12H2,(H,34,35,36) KEAYUCASEPTMHI-UHFFFAOYSA-N 693345 US12071425, Compound 265::1-(2,2-difluorocyclobutyl)-N-(2,3,6- trifluoro-4-((3-(2-(((3S,5S)-5- fluoropiperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 264 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 1.60 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693345 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693345&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441148 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)CC2CCC2(F)F)c(F)c1F |r| InChI=1S/C25H24F6N6O3S/c26-14-8-15(11-32-10-14)35-24-34-7-4-18(36-24)16-2-1-6-33-23(16)40-19-9-17(27)22(21(29)20(19)28)37-41(38,39)12-13-3-5-25(13,30)31/h1-2,4,6-7,9,13-15,32,37H,3,5,8,10-12H2,(H,34,35,36) KEAYUCASEPTMHI-UHFFFAOYSA-N 693345 US12071425, Compound 265::1-(2,2-difluorocyclobutyl)-N-(2,3,6- trifluoro-4-((3-(2-(((3S,5S)-5- fluoropiperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 264 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 1.40 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693345 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693345&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441149 CN(C)S(=O)(=O)Nc1c(F)cc(Oc2ncccc2-c2ccnc(N[C@@H]3CNC[C@@H](F)C3)n2)c(F)c1F |r| InChI=1S/C22H23F4N7O3S/c1-33(2)37(34,35)32-20-15(24)9-17(18(25)19(20)26)36-21-14(4-3-6-28-21)16-5-7-29-22(31-16)30-13-8-12(23)10-27-11-13/h3-7,9,12-13,27,32H,8,10-11H2,1-2H3,(H,29,30,31) NKTUDXFLMWMXSW-UHFFFAOYSA-N 693347 4-(2-(4-(dimethylsulfamoylamino)-2,3,5- trifluoro-phenoxy)-3-pyridyl)-2- (((3S,5S)-5-fluoro-3- piperidyl)amino)pyrimidine::US12071425, Compound 266 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 8.60 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693347 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693347&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441150 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)CCC2CC2)c(F)c1F |r| InChI=1S/C25H26F4N6O3S/c26-15-10-16(13-30-12-15)33-25-32-8-5-19(34-25)17-2-1-7-31-24(17)38-20-11-18(27)23(22(29)21(20)28)35-39(36,37)9-6-14-3-4-14/h1-2,5,7-8,11,14-16,30,35H,3-4,6,9-10,12-13H2,(H,32,33,34) WUVWUUNUDGVYLE-UHFFFAOYSA-N 693348 2-cyclopropyl-N-(2,3,6-trifluoro-4-((3- (2-(((3S,5S)-5-fluoropiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)ethane-1-sulfonamide::US12071425, Compound 267 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 2.20 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693348 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693348&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441151 CCC(F)(F)CS(=O)(=O)Nc1c(F)cc(Oc2ncc(F)cc2-c2ccnc(N[C@@H]3CNC[C@@H](F)C3)n2)c(F)c1F |r| InChI=1S/C24H23F7N6O3S/c1-2-24(30,31)11-41(38,39)37-21-16(27)7-18(19(28)20(21)29)40-22-15(6-13(26)9-34-22)17-3-4-33-23(36-17)35-14-5-12(25)8-32-10-14/h3-4,6-7,9,12,14,32,37H,2,5,8,10-11H2,1H3,(H,33,35,36) FNKNJAUKKNSYLG-UHFFFAOYSA-N 693349 2,2-difluoro-N-(2,3,6-trifluoro-4-((5- fluoro-3-(2-(((3S,5S)-5-fluoropiperidin- 3-yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)butane-1-sulfonamide::US12071425, Compound 268 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 1.10 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693349 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693349&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441152 CCN(C)S(=O)(=O)Nc1c(F)cc(Oc2ncccc2-c2ccnc(N[C@@H]3CNC[C@@H](F)C3)n2)c(F)c1F |r| InChI=1S/C23H25F4N7O3S/c1-3-34(2)38(35,36)33-21-16(25)10-18(19(26)20(21)27)37-22-15(5-4-7-29-22)17-6-8-30-23(32-17)31-14-9-13(24)11-28-12-14/h4-8,10,13-14,28,33H,3,9,11-12H2,1-2H3,(H,30,31,32) OMWPRSJSMXOGDW-UHFFFAOYSA-N 693350 4-(2-(4- ((ethyl(methyl)sulfamoyl)amino)-2,3,5- trifluoro-phenoxy)-3-pyridyl)-2- (((3S,5S)-5-fluoro-3- piperidyl)amino)pyrimidine::US12071425, Compound 269 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 1.10 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693350 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693350&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441153 CCC(F)(F)CS(=O)(=O)Nc1c(F)cc(Oc2nc(C)ccc2-c2ccnc(N[C@@H]3CNC[C@@H](F)C3)n2)c(F)c1F |r| InChI=1S/C25H26F6N6O3S/c1-3-25(30,31)12-41(38,39)37-22-17(27)9-19(20(28)21(22)29)40-23-16(5-4-13(2)34-23)18-6-7-33-24(36-18)35-15-8-14(26)10-32-11-15/h4-7,9,14-15,32,37H,3,8,10-12H2,1-2H3,(H,33,35,36) IEDLHZRHEPFGRN-UHFFFAOYSA-N 693351 2,2-difluoro-N-(2,3,6-trifluoro-4-((3-(2- (((3S,5S)-5-fluoropiperidin-3- yl)amino)pyrimidin-4-yl)-6- methylpyridin-2-yl)oxy)phenyl)butane-1- sulfonamide::US12071425, Compound 270 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.540 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693351 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693351&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441154 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)CC2CC2(F)F)c(F)c1F |r| InChI=1S/C24H22F6N6O3S/c25-13-6-14(10-31-9-13)34-23-33-5-3-17(35-23)15-2-1-4-32-22(15)39-18-7-16(26)21(20(28)19(18)27)36-40(37,38)11-12-8-24(12,29)30/h1-5,7,12-14,31,36H,6,8-11H2,(H,33,34,35) AXKFKOIZCZEEBW-UHFFFAOYSA-N 693352 1-(2,2-difluorocyclopropyl)-N-(2,3,6- trifluoro-4-((3-(2-(((3S,5S)-5- fluoropiperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 271 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 3.60 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693352 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693352&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441155 CN(C)[C@H]1CC[C@@H](CN1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F |r| InChI=1S/C29H30F3N7O3S/c1-39(2)24-11-10-19(16-35-24)36-29-34-14-12-22(37-29)20-9-6-13-33-28(20)42-23-15-21(30)27(26(32)25(23)31)38-43(40,41)17-18-7-4-3-5-8-18/h3-9,12-15,19,24,35,38H,10-11,16-17H2,1-2H3,(H,34,36,37) VGRZAZUPEVNSIV-UHFFFAOYSA-N 693353 N-(4-((3-(2-(((1r,4r)-4- (dimethylamino)cyclohexyl)amino)pyrimi- din-4-yl)pyridin-2-yl)oxy)-2,3,6- trifluorophenyl)-1- phenylmethanesulfonamide hydrochloride::US12071425, Compound 272 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.150 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693353 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693353&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441156 CN=S(=O)(Cc1ccccc1)Nc1ccc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c(F)c1F |r| InChI=1S/C28H29F2N7O2S/c1-31-40(38,18-19-7-3-2-4-8-19)37-23-11-12-24(26(30)25(23)29)39-27-21(10-6-15-33-27)22-13-16-34-28(36-22)35-20-9-5-14-32-17-20/h2-4,6-8,10-13,15-16,20,32H,5,9,14,17-18H2,1H3,(H,31,37,38)(H,34,35,36) MMTMFAKJYIPUOL-UHFFFAOYSA-N 693354 US12071425, Compound 274::N-(2,3-difluoro-4-((3-(2-(((S)-piperidin- 3-yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-N'-methyl-1- phenylmethanesulfonimidamide::US12071425, Compound 273 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 410 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693354 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693354&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441157 CN=S(=O)(Cc1ccccc1)Nc1ccc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c(F)c1F |r| InChI=1S/C28H29F2N7O2S/c1-31-40(38,18-19-7-3-2-4-8-19)37-23-11-12-24(26(30)25(23)29)39-27-21(10-6-15-33-27)22-13-16-34-28(36-22)35-20-9-5-14-32-17-20/h2-4,6-8,10-13,15-16,20,32H,5,9,14,17-18H2,1H3,(H,31,37,38)(H,34,35,36) MMTMFAKJYIPUOL-UHFFFAOYSA-N 693354 US12071425, Compound 274::N-(2,3-difluoro-4-((3-(2-(((S)-piperidin- 3-yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-N'-methyl-1- phenylmethanesulfonimidamide::US12071425, Compound 273 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 400 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693354 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693354&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441158 C[C@@]1(F)CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2F)c(F)c1F |r| InChI=1S/C28H25F5N6O3S/c1-28(33)12-17(13-34-15-28)37-27-36-10-8-21(38-27)18-6-4-9-35-26(18)42-22-11-20(30)25(24(32)23(22)31)39-43(40,41)14-16-5-2-3-7-19(16)29/h2-11,17,34,39H,12-15H2,1H3,(H,36,37,38) IBSPSZJAMORLKD-UHFFFAOYSA-N 693356 1-(2-fluorophenyl)-N-(2,3,6-trifluoro-4- ((3-(2-(((3S,5S)-5-fluoro-5- methylpiperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 275 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.230 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693356 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693356&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441159 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1 |r| InChI=1S/C28H25F4N7O2/c29-18-14-21(16-33-15-18)36-26-35-12-10-24(39-26)23-5-2-11-34-25(23)41-22-8-6-19(7-9-22)37-27(40)38-20-4-1-3-17(13-20)28(30,31)32/h1-13,18,21,33H,14-16H2,(H,35,36,39)(H2,37,38,40) JYDOBDXRDVATQK-UHFFFAOYSA-N 693357 1-(4-((3-(2-(((3S,5S)-5-Fluoropiperidin- 3-yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-3-(3- (trifluoromethyl)phenyl)urea::US12071425, Compound 276 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 180 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693357 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693357&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441160 FCC1CNCC(C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F InChI=1S/C28H26F4N6O3S/c29-13-18-11-19(15-33-14-18)36-28-35-10-8-22(37-28)20-7-4-9-34-27(20)41-23-12-21(30)26(25(32)24(23)31)38-42(39,40)16-17-5-2-1-3-6-17/h1-10,12,18-19,33,38H,11,13-16H2,(H,35,36,37) RLYAIHDUTSGWSP-UHFFFAOYSA-N 693358 US12071425, Compound 278::1-phenyl-N-(2,3,6-trifluoro-4-((3-(2-((5- (fluroomethyl)piperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 277 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 27.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693358 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693358&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441161 FCC1CNCC(C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F InChI=1S/C28H26F4N6O3S/c29-13-18-11-19(15-33-14-18)36-28-35-10-8-22(37-28)20-7-4-9-34-27(20)41-23-12-21(30)26(25(32)24(23)31)38-42(39,40)16-17-5-2-1-3-6-17/h1-10,12,18-19,33,38H,11,13-16H2,(H,35,36,37) RLYAIHDUTSGWSP-UHFFFAOYSA-N 693358 US12071425, Compound 278::1-phenyl-N-(2,3,6-trifluoro-4-((3-(2-((5- (fluroomethyl)piperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 277 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.780 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693358 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693358&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441162 Cc1cc(Oc2ncccc2-c2ccnc(NC3CNC[C@@](C)(F)C3)n2)c(F)c(F)c1NS(=O)(=O)Cc1ccccc1 |r| InChI=1S/C29H29F3N6O3S/c1-18-13-23(24(30)25(31)26(18)38-42(39,40)16-19-7-4-3-5-8-19)41-27-21(9-6-11-34-27)22-10-12-35-28(37-22)36-20-14-29(2,32)17-33-15-20/h3-13,20,33,38H,14-17H2,1-2H3,(H,35,36,37) GLYFQVPDOLFKQO-UHFFFAOYSA-N 693362 N-(2,3-difluoro-4-((3-(2-(((3S,5S)-5- fluoro-5-methylpiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)-6-methylphenyl)-1- phenylmethanesulfonamide::US12071425, Compound 279 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.230 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693362 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693362&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441163 Cc1cc(Oc2ncccc2-c2ccnc(N[C@@H]3CNC[C@@H](F)C3)n2)c(F)c(F)c1NS(=O)(=O)Cc1ccccc1 |r| InChI=1S/C28H27F3N6O3S/c1-17-12-23(24(30)25(31)26(17)37-41(38,39)16-18-6-3-2-4-7-18)40-27-21(8-5-10-33-27)22-9-11-34-28(36-22)35-20-13-19(29)14-32-15-20/h2-12,19-20,32,37H,13-16H2,1H3,(H,34,35,36) CYGDGVASNLWDAG-UHFFFAOYSA-N 693363 N-(2,3-difluoro-4-((3-(2-(((3S,5S)-5- fluoropiperidn-3-yl)amino)pyrimidin-4- yl)pyridin-2-yl)oxy)-6-methylphenyl)-1- phenylmethanesulfonamide::US12071425, Compound 280 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.310 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693363 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693363&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441164 C[C@@]1(F)CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccc(F)cc2F)c(F)c1F |r| InChI=1S/C28H24F6N6O3S/c1-28(34)11-17(12-35-14-28)38-27-37-8-6-21(39-27)18-3-2-7-36-26(18)43-22-10-20(31)25(24(33)23(22)32)40-44(41,42)13-15-4-5-16(29)9-19(15)30/h2-10,17,35,40H,11-14H2,1H3,(H,37,38,39) AJNCETQJUXWZAB-UHFFFAOYSA-N 693364 1-(2,4-difluorophenyl)-N-(2,3,6-trifluoro- 4-((3-(2-(((3S,5S)-5-fluoro-5- methylpiperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 281 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.340 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693364 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693364&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441165 C[C@@]1(F)CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2c(F)cccc2F)c(F)c1F |r| InChI=1S/C28H24F6N6O3S/c1-28(34)11-15(12-35-14-28)38-27-37-9-7-21(39-27)16-4-3-8-36-26(16)43-22-10-20(31)25(24(33)23(22)32)40-44(41,42)13-17-18(29)5-2-6-19(17)30/h2-10,15,35,40H,11-14H2,1H3,(H,37,38,39) JLABIWSLJFZHPP-UHFFFAOYSA-N 693365 1-(2,6-difluorophenyl)-N-(2,3,6-trifluoro- 4-((3-(2-(((3S,5S)-5-fluoro-5- methylpiperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 282 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.270 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693365 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693365&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441166 Cc1cc(NS(=O)(=O)Cc2c(F)cccc2F)c(F)c(F)c1Oc1ncccc1-c1ccnc(NC2CNC[C@@H](F)C2)n1 |r| InChI=1S/C28H25F5N6O3S/c1-15-10-23(39-43(40,41)14-19-20(30)5-2-6-21(19)31)24(32)25(33)26(15)42-27-18(4-3-8-35-27)22-7-9-36-28(38-22)37-17-11-16(29)12-34-13-17/h2-10,16-17,34,39H,11-14H2,1H3,(H,36,37,38) YOSIHKWUHNQAGZ-UHFFFAOYSA-N 693366 N-(2,3-difluoro-4-((3-(2-(((3S,5S)-5- fluoropiperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2-yl)oxy)-5-methylphenyl)-1- (2,6-difluorophenyl)methanesulfonamide::US12071425, Compound 283 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.410 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693366 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693366&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441167 Cc1ccc(CS(=O)(=O)Nc2c(F)cc(Oc3ncccc3-c3ccnc(N[C@@H]4CNC[C@@](C)(F)C4)n3)c(F)c2F)cc1 |r| InChI=1S/C29H28F4N6O3S/c1-17-5-7-18(8-6-17)15-43(40,41)39-26-21(30)12-23(24(31)25(26)32)42-27-20(4-3-10-35-27)22-9-11-36-28(38-22)37-19-13-29(2,33)16-34-14-19/h3-12,19,34,39H,13-16H2,1-2H3,(H,36,37,38) OLASFIRZAYZNDJ-UHFFFAOYSA-N 693367 1-p-tolyl-N-(2,3,6-trifluoro-4-((3-(2- (((3S,5S)-5-fluoro-5-methylpiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 284 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.150 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693367 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693367&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441168 CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ncccc4-c4ccnc(N[C@@H]5CNC[C@@H](F)C5)n4)cc3)cc2C(F)(F)F)CC1 |r| InChI=1S/C34H37F4N9O2/c1-46-13-15-47(16-14-46)21-22-4-5-25(18-29(22)34(36,37)38)44-33(48)43-24-6-8-27(9-7-24)49-31-28(3-2-11-40-31)30-10-12-41-32(45-30)42-26-17-23(35)19-39-20-26/h2-12,18,23,26,39H,13-17,19-21H2,1H3,(H,41,42,45)(H2,43,44,48) PGWDAWLKMWGXDV-UHFFFAOYSA-N 693368 1-(4-((3-(2-(((3S,5S)-5-fluoropiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-3-(4-((4-methylpiperazin- 1-yl)methyl)-3- (trifluoromethyl)phenyl)urea hydrochloride::US12071425, Compound 285 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 8.90 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693368 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693368&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441169 CN1CCN(Cc2ccc(NC(=O)Nc3cccc(Oc4ncccc4-c4ccnc(N[C@@H]5CNC[C@@H](F)C5)n4)c3)cc2C(F)(F)F)CC1 |r| InChI=1S/C34H37F4N9O2/c1-46-12-14-47(15-13-46)21-22-7-8-25(18-29(22)34(36,37)38)44-33(48)43-24-4-2-5-27(17-24)49-31-28(6-3-10-40-31)30-9-11-41-32(45-30)42-26-16-23(35)19-39-20-26/h2-11,17-18,23,26,39H,12-16,19-21H2,1H3,(H,41,42,45)(H2,43,44,48) ISMQHCVNJZYRIZ-UHFFFAOYSA-N 693369 1-(3-((3-(2-(((3S,5S)-5-fluoropiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-3-(4-((4-methylpiperazin- 1-yl)methyl)-3- (trifluoromethyl)phenyl)urea hydrochloride::US12071425, Compound 286 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 260 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693369 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693369&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441170 Fc1cc(Oc2ncccc2-c2ccnc(NC3CC4CCCN(C4)C3)n2)c(F)c(F)c1NS(=O)(=O)Cc1ccccc1 InChI=1S/C30H29F3N6O3S/c31-23-15-25(26(32)27(33)28(23)38-43(40,41)18-19-6-2-1-3-7-19)42-29-22(9-4-11-34-29)24-10-12-35-30(37-24)36-21-14-20-8-5-13-39(16-20)17-21/h1-4,6-7,9-12,15,20-21,38H,5,8,13-14,16-18H2,(H,35,36,37) BRYRGLKZMKQQSI-UHFFFAOYSA-N 693370 N-(4-((3-(2-((1-azabicyclo[3.3.1]nonan- 3-yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)-2,3,6-trifluorophenyl)-1- phenylmethanesulfonamide hydrochloride::US12071425, Compound 288::US12071425, Compound 287 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 1.50 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693370 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693370&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441171 Fc1cc(Oc2ncccc2-c2ccnc(NC3CC4CCCN(C4)C3)n2)c(F)c(F)c1NS(=O)(=O)Cc1ccccc1 InChI=1S/C30H29F3N6O3S/c31-23-15-25(26(32)27(33)28(23)38-43(40,41)18-19-6-2-1-3-7-19)42-29-22(9-4-11-34-29)24-10-12-35-30(37-24)36-21-14-20-8-5-13-39(16-20)17-21/h1-4,6-7,9-12,15,20-21,38H,5,8,13-14,16-18H2,(H,35,36,37) BRYRGLKZMKQQSI-UHFFFAOYSA-N 693370 N-(4-((3-(2-((1-azabicyclo[3.3.1]nonan- 3-yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)-2,3,6-trifluorophenyl)-1- phenylmethanesulfonamide hydrochloride::US12071425, Compound 288::US12071425, Compound 287 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 1.10 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693370 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693370&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441172 Cc1ccccc1CS(=O)(=O)Nc1c(F)cc(Oc2ncccc2-c2ccnc(N[C@@H]3CNC[C@@](C)(F)C3)n2)c(F)c1F |r| InChI=1S/C29H28F4N6O3S/c1-17-6-3-4-7-18(17)15-43(40,41)39-26-21(30)12-23(24(31)25(26)32)42-27-20(8-5-10-35-27)22-9-11-36-28(38-22)37-19-13-29(2,33)16-34-14-19/h3-12,19,34,39H,13-16H2,1-2H3,(H,36,37,38) ZDAQNFBICOZPAI-UHFFFAOYSA-N 693372 1-o-tolyl-N-(2,3,6-trifluoro-4-((3-(2- (((3S,5S)-5-fluoro-5-methylpiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 290 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.400 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693372 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693372&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441173 COc1cccc(CS(=O)(=O)Nc2c(F)cc(Oc3ncccc3-c3ccnc(N[C@@H]4CNC[C@@](C)(F)C4)n3)c(F)c2F)c1 |r| InChI=1S/C29H28F4N6O4S/c1-29(33)13-18(14-34-16-29)37-28-36-10-8-22(38-28)20-7-4-9-35-27(20)43-23-12-21(30)26(25(32)24(23)31)39-44(40,41)15-17-5-3-6-19(11-17)42-2/h3-12,18,34,39H,13-16H2,1-2H3,(H,36,37,38) CIOVUHXVDFMZGJ-UHFFFAOYSA-N 693373 1-(3-methoxyphenyl)-N-(2,3,6-trifluoro- 4-((3-(2-(((3S,5S)-5-fluoro-5- methylpiperidin-3-l)amino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 291 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.280 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693373 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693373&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441174 Cc1c(F)c(NS(=O)(=O)Cc2ccccc2)c(F)cc1Oc1ncccc1-c1ccnc(N[C@@H]2CNC[C@@](C)(F)C2)n1 |r| InChI=1S/C29H29F3N6O3S/c1-18-24(13-22(30)26(25(18)31)38-42(39,40)16-19-7-4-3-5-8-19)41-27-21(9-6-11-34-27)23-10-12-35-28(37-23)36-20-14-29(2,32)17-33-15-20/h3-13,20,33,38H,14-17H2,1-2H3,(H,35,36,37) VZRVLCABUGTFTB-UHFFFAOYSA-N 693374 N-(2,6-difluoro-4-((3-(2-(((3S,5S)-5- fluoro-5-methylpiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)-3-methylphenyl)-1- phenylmethanesulfonamide::US12071425, Compound 292 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.330 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693374 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693374&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441175 Cc1c(F)c(NS(=O)(=O)Cc2c(F)cccc2F)c(F)cc1Oc1ncccc1-c1ccnc(N[C@@H]2CNC[C@@H](F)C2)n1 |r| InChI=1S/C28H25F5N6O3S/c1-15-24(11-22(32)26(25(15)33)39-43(40,41)14-19-20(30)5-2-6-21(19)31)42-27-18(4-3-8-35-27)23-7-9-36-28(38-23)37-17-10-16(29)12-34-13-17/h2-9,11,16-17,34,39H,10,12-14H2,1H3,(H,36,37,38) RFCJRYKUGRZOKG-UHFFFAOYSA-N 693375 N-(2,6-difluoro-4-((3-(2-(((3S,5S)-5- fluoropiperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2-yl)oxy)-3-methylphenyl)-1- (2,6-difluorophenyl)methanesulfonamide::US12071425, Compound 293 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.410 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693375 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693375&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441176 CC1(CF)CNCC(C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F InChI=1S/C29H28F4N6O3S/c1-29(16-30)13-19(14-34-17-29)37-28-36-11-9-22(38-28)20-8-5-10-35-27(20)42-23-12-21(31)26(25(33)24(23)32)39-43(40,41)15-18-6-3-2-4-7-18/h2-12,19,34,39H,13-17H2,1H3,(H,36,37,38) BZMZNCDDTKBPDU-UHFFFAOYSA-N 693376 US12071425, Compound 295::1-phenyl-N-(2,3,6-trifluoro-4-((3-(2-((5- (fluoromethyl)-5-methylpiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 294 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.590 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693376 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693376&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441177 CC1(CF)CNCC(C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F InChI=1S/C29H28F4N6O3S/c1-29(16-30)13-19(14-34-17-29)37-28-36-11-9-22(38-28)20-8-5-10-35-27(20)42-23-12-21(31)26(25(33)24(23)32)39-43(40,41)15-18-6-3-2-4-7-18/h2-12,19,34,39H,13-17H2,1H3,(H,36,37,38) BZMZNCDDTKBPDU-UHFFFAOYSA-N 693376 US12071425, Compound 295::1-phenyl-N-(2,3,6-trifluoro-4-((3-(2-((5- (fluoromethyl)-5-methylpiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 294 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 41.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693376 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693376&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441178 COc1cc(Oc2ncccc2-c2ccnc(N[C@@H]3CNC[C@@H](F)C3)n2)cc(F)c1NS(=O)(=O)Cc1ccccc1 |r| InChI=1S/C28H28F2N6O4S/c1-39-25-14-21(13-23(30)26(25)36-41(37,38)17-18-6-3-2-4-7-18)40-27-22(8-5-10-32-27)24-9-11-33-28(35-24)34-20-12-19(29)15-31-16-20/h2-11,13-14,19-20,31,36H,12,15-17H2,1H3,(H,33,34,35) MGBVZQSQPZOXDJ-UHFFFAOYSA-N 693378 N-(2-fluoro-4-((3-(2-(((3S,5S)-5- fluoropiperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2-yl)oxy)-6-methoxyphenyl)- 1-phenylmethanesulfonamide::US12071425, Compound 296 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 14.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693378 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693378&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441179 Cc1ccc(CS(=O)(=O)Nc2cc(C)c(Oc3ncccc3-c3ccnc(N[C@@H]4CNC[C@@](C)(F)C4)n3)c(F)c2F)cc1 |r| InChI=1S/C30H31F3N6O3S/c1-18-6-8-20(9-7-18)16-43(40,41)39-24-13-19(2)27(26(32)25(24)31)42-28-22(5-4-11-35-28)23-10-12-36-29(38-23)37-21-14-30(3,33)17-34-15-21/h4-13,21,34,39H,14-17H2,1-3H3,(H,36,37,38) OMVHWDKEVBBMPI-UHFFFAOYSA-N 693379 N-(2,3-difluoro-4-((3-(2-(((3S,5S)-5- fluoro-5-methylpiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)-5-methylphenyl)-1-(p- tolyl)methanesulfonamide::US12071425, Compound 297 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.280 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693379 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693379&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441180 Fc1cc(Oc2ncccc2-c2ccnc(NC3CNCC4(CC4(F)F)C3)n2)c(F)c(F)c1NS(=O)(=O)Cc1ccccc1 InChI=1S/C29H25F5N6O3S/c30-20-11-22(23(31)24(32)25(20)40-44(41,42)14-17-5-2-1-3-6-17)43-26-19(7-4-9-36-26)21-8-10-37-27(39-21)38-18-12-28(16-35-13-18)15-29(28,33)34/h1-11,18,35,40H,12-16H2,(H,37,38,39) RAQCDYSSZSXMDN-UHFFFAOYSA-N 693380 US12071425, Compound 300::US12071425, Compound 301::N-(4-((3-(2-((1,1-difluoro-5- azaspiro[2.5]octan-7- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)-2,3,6-trifluorophenyl)-1- phenylmethanesulfonamide::US12071425, Compound 299::US12071425, Compound 298 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 1.80 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693380 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693380&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441181 Fc1cc(Oc2ncccc2-c2ccnc(NC3CNCC4(CC4(F)F)C3)n2)c(F)c(F)c1NS(=O)(=O)Cc1ccccc1 InChI=1S/C29H25F5N6O3S/c30-20-11-22(23(31)24(32)25(20)40-44(41,42)14-17-5-2-1-3-6-17)43-26-19(7-4-9-36-26)21-8-10-37-27(39-21)38-18-12-28(16-35-13-18)15-29(28,33)34/h1-11,18,35,40H,12-16H2,(H,37,38,39) RAQCDYSSZSXMDN-UHFFFAOYSA-N 693380 US12071425, Compound 300::US12071425, Compound 301::N-(4-((3-(2-((1,1-difluoro-5- azaspiro[2.5]octan-7- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)-2,3,6-trifluorophenyl)-1- phenylmethanesulfonamide::US12071425, Compound 299::US12071425, Compound 298 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.380 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693380 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693380&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441182 Fc1cc(Oc2ncccc2-c2ccnc(NC3CNCC4(CC4(F)F)C3)n2)c(F)c(F)c1NS(=O)(=O)Cc1ccccc1 InChI=1S/C29H25F5N6O3S/c30-20-11-22(23(31)24(32)25(20)40-44(41,42)14-17-5-2-1-3-6-17)43-26-19(7-4-9-36-26)21-8-10-37-27(39-21)38-18-12-28(16-35-13-18)15-29(28,33)34/h1-11,18,35,40H,12-16H2,(H,37,38,39) RAQCDYSSZSXMDN-UHFFFAOYSA-N 693380 US12071425, Compound 300::US12071425, Compound 301::N-(4-((3-(2-((1,1-difluoro-5- azaspiro[2.5]octan-7- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)-2,3,6-trifluorophenyl)-1- phenylmethanesulfonamide::US12071425, Compound 299::US12071425, Compound 298 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 8.70 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693380 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693380&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441183 Fc1cc(Oc2ncccc2-c2ccnc(NC3CNCC4(CC4(F)F)C3)n2)c(F)c(F)c1NS(=O)(=O)Cc1ccccc1 InChI=1S/C29H25F5N6O3S/c30-20-11-22(23(31)24(32)25(20)40-44(41,42)14-17-5-2-1-3-6-17)43-26-19(7-4-9-36-26)21-8-10-37-27(39-21)38-18-12-28(16-35-13-18)15-29(28,33)34/h1-11,18,35,40H,12-16H2,(H,37,38,39) RAQCDYSSZSXMDN-UHFFFAOYSA-N 693380 US12071425, Compound 300::US12071425, Compound 301::N-(4-((3-(2-((1,1-difluoro-5- azaspiro[2.5]octan-7- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)-2,3,6-trifluorophenyl)-1- phenylmethanesulfonamide::US12071425, Compound 299::US12071425, Compound 298 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.360 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693380 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693380&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441184 FC(F)C1CNCC(C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F InChI=1S/C28H25F5N6O3S/c29-20-12-22(23(30)24(31)25(20)39-43(40,41)15-16-5-2-1-3-6-16)42-27-19(7-4-9-35-27)21-8-10-36-28(38-21)37-18-11-17(26(32)33)13-34-14-18/h1-10,12,17-18,26,34,39H,11,13-15H2,(H,36,37,38) MYESRIICPZPPLD-UHFFFAOYSA-N 693384 N-(4-((3-(2-((5- (difluoromethyl)piperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)-2,3,6-trifluorophenyl)-1- phenylmethanesulfonamide::US12071425, Compound 303::US12071425, Compound 302 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.440 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693384 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693384&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441185 FC(F)C1CNCC(C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F InChI=1S/C28H25F5N6O3S/c29-20-12-22(23(30)24(31)25(20)39-43(40,41)15-16-5-2-1-3-6-16)42-27-19(7-4-9-35-27)21-8-10-36-28(38-21)37-18-11-17(26(32)33)13-34-14-18/h1-10,12,17-18,26,34,39H,11,13-15H2,(H,36,37,38) MYESRIICPZPPLD-UHFFFAOYSA-N 693384 N-(4-((3-(2-((5- (difluoromethyl)piperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)-2,3,6-trifluorophenyl)-1- phenylmethanesulfonamide::US12071425, Compound 303::US12071425, Compound 302 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 35.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693384 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693384&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441186 COc1ccc(CS(=O)(=O)Nc2c(F)cc(Oc3ncccc3-c3ccnc(N[C@@H]4CNC[C@@](C)(F)C4)n3)c(F)c2F)cc1 |r| InChI=1S/C29H28F4N6O4S/c1-29(33)13-18(14-34-16-29)37-28-36-11-9-22(38-28)20-4-3-10-35-27(20)43-23-12-21(30)26(25(32)24(23)31)39-44(40,41)15-17-5-7-19(42-2)8-6-17/h3-12,18,34,39H,13-16H2,1-2H3,(H,36,37,38) KSFPELHCCBVERN-UHFFFAOYSA-N 693386 1-(4-methoxyphenyl)-N-(2,3,6-trifluoro- 4-((3-(2-(((3S,5S)-5-fluoro-5- methylpiperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 304 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.230 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693386 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693386&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441187 Cc1ccc(CS(=O)(=O)Nc2c(C)cc(Oc3ncccc3-c3ccnc(N[C@@H]4CNC[C@@](C)(F)C4)n3)c(F)c2F)cc1 |r| InChI=1S/C30H31F3N6O3S/c1-18-6-8-20(9-7-18)16-43(40,41)39-27-19(2)13-24(25(31)26(27)32)42-28-22(5-4-11-35-28)23-10-12-36-29(38-23)37-21-14-30(3,33)17-34-15-21/h4-13,21,34,39H,14-17H2,1-3H3,(H,36,37,38) PCFQDTHDHXOMFU-UHFFFAOYSA-N 693387 N-(2,3-difluoro-4-((3-(2-(((3S,5S)-5- fluoro-5-methylpiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)-6-methylphenyl)-1-(p- tolyl)methanesulfonamide::US12071425, Compound 305 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.210 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693387 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693387&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441188 CN(C)C1CCC(CC1F)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F InChI=1S/C30H30F4N6O3S/c1-40(2)24-11-10-19(15-21(24)31)37-30-36-14-12-23(38-30)20-9-6-13-35-29(20)43-25-16-22(32)28(27(34)26(25)33)39-44(41,42)17-18-7-4-3-5-8-18/h3-9,12-14,16,19,21,24,39H,10-11,15,17H2,1-2H3,(H,36,37,38) DPNSHTKNFHFSJU-UHFFFAOYSA-N 693388 N-(4-((3-(2-((4-(dimethylamino)-3- fluorocyclohexyl)amino)pyrimidin-4- yl)pyridin-2-yl)oxy)-2,3,6- trifluorophenyl)-1- phenylmethanesulfonamide::US12071425, Compound 308::US12071425, Compound 307::US12071425, Compound 306 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 43.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693388 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693388&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441189 CN(C)C1CCC(CC1F)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F InChI=1S/C30H30F4N6O3S/c1-40(2)24-11-10-19(15-21(24)31)37-30-36-14-12-23(38-30)20-9-6-13-35-29(20)43-25-16-22(32)28(27(34)26(25)33)39-44(41,42)17-18-7-4-3-5-8-18/h3-9,12-14,16,19,21,24,39H,10-11,15,17H2,1-2H3,(H,36,37,38) DPNSHTKNFHFSJU-UHFFFAOYSA-N 693388 N-(4-((3-(2-((4-(dimethylamino)-3- fluorocyclohexyl)amino)pyrimidin-4- yl)pyridin-2-yl)oxy)-2,3,6- trifluorophenyl)-1- phenylmethanesulfonamide::US12071425, Compound 308::US12071425, Compound 307::US12071425, Compound 306 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.310 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693388 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693388&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441190 CN(C)C1CCC(CC1F)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F InChI=1S/C30H30F4N6O3S/c1-40(2)24-11-10-19(15-21(24)31)37-30-36-14-12-23(38-30)20-9-6-13-35-29(20)43-25-16-22(32)28(27(34)26(25)33)39-44(41,42)17-18-7-4-3-5-8-18/h3-9,12-14,16,19,21,24,39H,10-11,15,17H2,1-2H3,(H,36,37,38) DPNSHTKNFHFSJU-UHFFFAOYSA-N 693388 N-(4-((3-(2-((4-(dimethylamino)-3- fluorocyclohexyl)amino)pyrimidin-4- yl)pyridin-2-yl)oxy)-2,3,6- trifluorophenyl)-1- phenylmethanesulfonamide::US12071425, Compound 308::US12071425, Compound 307::US12071425, Compound 306 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 83.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693388 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693388&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441191 CCCS(=O)(=O)Nc1c(F)cc(Oc2ncccc2-c2ccnc(N[C@H]3CC[C@@H](CC3)N(C)C)n2)c(F)c1F |r,wU:28.32,wD:25.25,(11.34,-1.54,;10,-2.31,;8.67,-1.54,;7.34,-2.31,;6.57,-.98,;8.11,-3.64,;6,-3.08,;4.67,-2.31,;3.33,-3.08,;3.33,-4.62,;2,-2.31,;2,-.77,;.67,,;-.67,-.77,;-.67,-2.31,;-2,-3.08,;-3.33,-2.31,;-3.33,-.77,;-2,,;-2,1.54,;-.67,2.31,;-.67,3.85,;-2,4.62,;-3.33,3.85,;-4.67,4.62,;-6,3.85,;-7.34,4.62,;-8.67,3.85,;-8.67,2.31,;-7.34,1.54,;-6,2.31,;-10,1.54,;-10,,;-11.34,2.31,;-3.33,2.31,;3.33,,;3.33,1.54,;4.67,-.77,;6,,)| InChI=1S/C26H31F3N6O3S/c1-4-14-39(36,37)34-24-19(27)15-21(22(28)23(24)29)38-25-18(6-5-12-30-25)20-11-13-31-26(33-20)32-16-7-9-17(10-8-16)35(2)3/h5-6,11-13,15-17,34H,4,7-10,14H2,1-3H3,(H,31,32,33) AHMALMRLKAXXIR-UHFFFAOYSA-N 693391 N-(4-((3-(2-(((1r,4r)-4- (dimethylamino)cyclohexyl)amino)pyrimi- din-4-yl)pyridin-2-yl)oxy)-2,3,6- trifluorophenyl)propane-1-sulfonamide::US12071425, Compound 309 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 1.10 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693391 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693391&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441192 CN(C)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)CCC(C)(F)F)c(F)c1F |r,wU:3.2,wD:6.9,(-8.67,,;-8.67,1.54,;-10,2.31,;-7.34,2.31,;-7.34,3.85,;-6,4.62,;-4.67,3.85,;-4.67,2.31,;-6,1.54,;-3.33,4.62,;-2,3.85,;-.67,4.62,;.67,3.85,;.67,2.31,;-.67,1.54,;-2,2.31,;-.67,,;-2,-.77,;-2,-2.31,;-.67,-3.08,;.67,-2.31,;.67,-.77,;2,,;3.33,-.77,;3.33,-2.31,;4.67,-3.08,;4.67,-4.62,;6,-2.31,;7.34,-3.08,;8.67,-2.31,;10,-1.54,;9.44,-3.64,;7.9,-.98,;8.67,.36,;7.9,1.69,;8.67,3.02,;6.57,.92,;6.57,2.46,;6,-.77,;7.34,,;4.67,,;4.67,1.54,)| InChI=1S/C27H31F5N6O3S/c1-27(31,32)11-14-42(39,40)37-24-19(28)15-21(22(29)23(24)30)41-25-18(5-4-12-33-25)20-10-13-34-26(36-20)35-16-6-8-17(9-7-16)38(2)3/h4-5,10,12-13,15-17,37H,6-9,11,14H2,1-3H3,(H,34,35,36) RGXXXJUXLRRSCC-UHFFFAOYSA-N 693392 N-(4-((3-(2-(((1r,4r)-4- (dimethylamino)cyclohexyl)amino)pyrimi- din-4-yl)pyridin-2-yl)oxy)-2,3,6- trifluorophenyl)-3,3-difluorobutane-1- sulfonamide::US12071425, Compound 310 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.320 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693392 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693392&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441193 Cc1ccc(CS(=O)(=O)Nc2cc(F)c(Oc3ncccc3-c3ccnc(N[C@@H]4CNC[C@@](C)(F)C4)n3)c(C)c2F)cc1 |r| InChI=1S/C30H31F3N6O3S/c1-18-6-8-20(9-7-18)16-43(40,41)39-25-13-23(31)27(19(2)26(25)32)42-28-22(5-4-11-35-28)24-10-12-36-29(38-24)37-21-14-30(3,33)17-34-15-21/h4-13,21,34,39H,14-17H2,1-3H3,(H,36,37,38) NTURJVJGNXDCGY-UHFFFAOYSA-N 693393 N-(2,5-difluoro-4-((3-(2-(((3S,5S)-5- fluoro-5-methylpiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)-3-methylphenyl)-1-(p- tolyl)methanesulfonamide::US12071425, Compound 311 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.290 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693393 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693393&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441194 CS(=O)(=O)c1ccc(CS(=O)(=O)Nc2c(F)cc(Oc3ncccc3-c3ccnc(N[C@@H]4CNC[C@@H](F)C4)n3)c(F)c2F)cc1 |r| InChI=1S/C28H26F4N6O5S2/c1-44(39,40)19-6-4-16(5-7-19)15-45(41,42)38-26-21(30)12-23(24(31)25(26)32)43-27-20(3-2-9-34-27)22-8-10-35-28(37-22)36-18-11-17(29)13-33-14-18/h2-10,12,17-18,33,38H,11,13-15H2,1H3,(H,35,36,37) REKDQYNLRRPGGH-UHFFFAOYSA-N 693394 1-(4-(methylsulfonyl)phenyl)-N-(2,3,6- trifluoro-4-((3-(2-(((3S,5S)-5- fluoropiperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 312 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.140 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693394 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693394&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441195 CC(c1ccccc1)S(=O)(=O)Nc1cc(C)c(Oc2ncccc2-c2ccnc(N[C@@H]3CNC[C@@H](F)C3)n2)c(F)c1F |r| InChI=1S/C29H29F3N6O3S/c1-17-13-24(38-42(39,40)18(2)19-7-4-3-5-8-19)25(31)26(32)27(17)41-28-22(9-6-11-34-28)23-10-12-35-29(37-23)36-21-14-20(30)15-33-16-21/h3-13,18,20-21,33,38H,14-16H2,1-2H3,(H,35,36,37) KDCTVYIZVJRXTP-UHFFFAOYSA-N 693395 N-(2,3-difluoro-4-((3-(2-(((3S,5S)-5- fluoropiperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2-yl)oxy)-5-methylphenyl)-1- phenylethane-1-sulfonamide hydrochloride::US12071425, Compound 314::US12071425, Compound 313 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 1.20 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693395 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693395&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441196 CC(c1ccccc1)S(=O)(=O)Nc1cc(C)c(Oc2ncccc2-c2ccnc(N[C@@H]3CNC[C@@H](F)C3)n2)c(F)c1F |r| InChI=1S/C29H29F3N6O3S/c1-17-13-24(38-42(39,40)18(2)19-7-4-3-5-8-19)25(31)26(32)27(17)41-28-22(9-6-11-34-28)23-10-12-35-29(37-23)36-21-14-20(30)15-33-16-21/h3-13,18,20-21,33,38H,14-16H2,1-2H3,(H,35,36,37) KDCTVYIZVJRXTP-UHFFFAOYSA-N 693395 N-(2,3-difluoro-4-((3-(2-(((3S,5S)-5- fluoropiperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2-yl)oxy)-5-methylphenyl)-1- phenylethane-1-sulfonamide hydrochloride::US12071425, Compound 314::US12071425, Compound 313 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.240 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693395 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693395&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441197 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccc(cc2)C2CC2)c(F)c1F |r| InChI=1S/C30H28F4N6O3S/c31-20-12-21(15-35-14-20)38-30-37-11-9-24(39-30)22-2-1-10-36-29(22)43-25-13-23(32)28(27(34)26(25)33)40-44(41,42)16-17-3-5-18(6-4-17)19-7-8-19/h1-6,9-11,13,19-21,35,40H,7-8,12,14-16H2,(H,37,38,39) VPTZKZWPAKZBHF-UHFFFAOYSA-N 693397 1-(4-cyclopropylphenyl)-N-(2,3,6- trifluoro-4-((3-(2-(((3S,5S)-5- fluoropiperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 315 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.230 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693397 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693397&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441198 FC[C@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccc(F)cc2)c(F)c1F |r| InChI=1S/C28H25F5N6O3S/c29-12-17-10-19(14-34-13-17)37-28-36-9-7-22(38-28)20-2-1-8-35-27(20)42-23-11-21(31)26(25(33)24(23)32)39-43(40,41)15-16-3-5-18(30)6-4-16/h1-9,11,17,19,34,39H,10,12-15H2,(H,36,37,38) CXWHEKVEVFLJKH-UHFFFAOYSA-N 693398 1-(4-fluorophenyl)-N-(2,3,6-trifluoro-4- ((3-(2-(((3S,5R)-5- (fluoromethyl)piperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 316 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.350 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693398 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693398&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441199 COC1CNCC(C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F InChI=1S/C28H27F3N6O4S/c1-40-19-12-18(14-32-15-19)35-28-34-11-9-22(36-28)20-8-5-10-33-27(20)41-23-13-21(29)26(25(31)24(23)30)37-42(38,39)16-17-6-3-2-4-7-17/h2-11,13,18-19,32,37H,12,14-16H2,1H3,(H,34,35,36) BOMCYRFRWPDJDL-UHFFFAOYSA-N 693399 US12071425, Compound 319::1-phenyl-N-(2,3,6-trifluoro-4-((3-(2-((5- methoxypiperidin-3-yl)amino)pyrimidin- 4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 318::US12071425, Compound 317 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 140 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693399 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693399&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441200 COC1CNCC(C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F InChI=1S/C28H27F3N6O4S/c1-40-19-12-18(14-32-15-19)35-28-34-11-9-22(36-28)20-8-5-10-33-27(20)41-23-13-21(29)26(25(31)24(23)30)37-42(38,39)16-17-6-3-2-4-7-17/h2-11,13,18-19,32,37H,12,14-16H2,1H3,(H,34,35,36) BOMCYRFRWPDJDL-UHFFFAOYSA-N 693399 US12071425, Compound 319::1-phenyl-N-(2,3,6-trifluoro-4-((3-(2-((5- methoxypiperidin-3-yl)amino)pyrimidin- 4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 318::US12071425, Compound 317 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.300 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693399 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693399&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441201 COC1CNCC(C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F InChI=1S/C28H27F3N6O4S/c1-40-19-12-18(14-32-15-19)35-28-34-11-9-22(36-28)20-8-5-10-33-27(20)41-23-13-21(29)26(25(31)24(23)30)37-42(38,39)16-17-6-3-2-4-7-17/h2-11,13,18-19,32,37H,12,14-16H2,1H3,(H,34,35,36) BOMCYRFRWPDJDL-UHFFFAOYSA-N 693399 US12071425, Compound 319::1-phenyl-N-(2,3,6-trifluoro-4-((3-(2-((5- methoxypiperidin-3-yl)amino)pyrimidin- 4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 318::US12071425, Compound 317 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.480 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693399 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693399&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441202 FC[C@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccc(F)cc2F)c(F)c1F |r| InChI=1S/C28H24F6N6O3S/c29-11-15-8-18(13-35-12-15)38-28-37-7-5-22(39-28)19-2-1-6-36-27(19)43-23-10-21(32)26(25(34)24(23)33)40-44(41,42)14-16-3-4-17(30)9-20(16)31/h1-7,9-10,15,18,35,40H,8,11-14H2,(H,37,38,39) BDKPFJDJEGIIIL-UHFFFAOYSA-N 693402 1-(2,4-difluorophenyl)-N-(2,3,6-trifluoro- 4-((3-(2-(((3S,5R)-5- (fluoromethyl)piperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 320 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 35.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693402 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693402&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441203 FC[C@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccc(cc2)C#N)c(F)c1F |r| InChI=1S/C29H25F4N7O3S/c30-12-19-10-20(15-35-14-19)38-29-37-9-7-23(39-29)21-2-1-8-36-28(21)43-24-11-22(31)27(26(33)25(24)32)40-44(41,42)16-18-5-3-17(13-34)4-6-18/h1-9,11,19-20,35,40H,10,12,14-16H2,(H,37,38,39) XQMOWYZVDYFUKD-UHFFFAOYSA-N 693403 1-(4-cyanophenyl)-N-(2,3,6-trifluoro-4- ((3-(2-(((3S,5R)-5- (fluoromethyl)piperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 321 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.650 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693403 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693403&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441204 Cc1cc(F)ccc1CS(=O)(=O)Nc1c(F)cc(Oc2ncccc2-c2ccnc(N[C@@H]3CNC[C@@H](F)C3)n2)c(F)c1F |r| InChI=1S/C28H25F5N6O3S/c1-15-9-17(29)5-4-16(15)14-43(40,41)39-26-21(31)11-23(24(32)25(26)33)42-27-20(3-2-7-35-27)22-6-8-36-28(38-22)37-19-10-18(30)12-34-13-19/h2-9,11,18-19,34,39H,10,12-14H2,1H3,(H,36,37,38) CIAKSPYIBPKBSC-UHFFFAOYSA-N 693404 1-(4-fluoro-2-methylphenyl)-N-(2,3,6- trifluoro-4-((3-(2-(((3S,5S)-5- fluoropiperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 322 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.420 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693404 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693404&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441205 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(Cl)c(NS(=O)(=O)Cc2ccccc2F)c(F)c1F |r| InChI=1S/C27H23ClF4N6O3S/c28-19-11-22(23(31)24(32)25(19)38-42(39,40)14-15-4-1-2-6-20(15)30)41-26-18(5-3-8-34-26)21-7-9-35-27(37-21)36-17-10-16(29)12-33-13-17/h1-9,11,16-17,33,38H,10,12-14H2,(H,35,36,37) MHHFZAFDXKDXCM-UHFFFAOYSA-N 693405 N-(6-chloro-2,3-difluoro-4-((3-(2- (((3S,5S)-5-fluoropiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-1-(2- fluorophenyl)methanesulfonamide::US12071425, Compound 323 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.330 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693405 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693405&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441206 Fc1ccccc1CS(=O)(=O)Nc1c(F)cc(Oc2ncccc2-c2ccnc(NC3CNCC(C3)C3CC3)n2)c(F)c1F InChI=1S/C30H28F4N6O3S/c31-22-6-2-1-4-18(22)16-44(41,42)40-28-23(32)13-25(26(33)27(28)34)43-29-21(5-3-10-36-29)24-9-11-37-30(39-24)38-20-12-19(14-35-15-20)17-7-8-17/h1-6,9-11,13,17,19-20,35,40H,7-8,12,14-16H2,(H,37,38,39) MJJTWNUFXPHOLB-UHFFFAOYSA-N 693406 N-(4-((3-(2-((5-cyclopropylpiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)-2,3,6-trifluorophenyl)-1-(2- fluorophenyl)methanesulfonamide::US12071425, Compound 326::US12071425, Compound 327::US12071425, Compound 325::US12071425, Compound 324 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.400 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693406 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693406&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441207 Fc1ccccc1CS(=O)(=O)Nc1c(F)cc(Oc2ncccc2-c2ccnc(NC3CNCC(C3)C3CC3)n2)c(F)c1F InChI=1S/C30H28F4N6O3S/c31-22-6-2-1-4-18(22)16-44(41,42)40-28-23(32)13-25(26(33)27(28)34)43-29-21(5-3-10-36-29)24-9-11-37-30(39-24)38-20-12-19(14-35-15-20)17-7-8-17/h1-6,9-11,13,17,19-20,35,40H,7-8,12,14-16H2,(H,37,38,39) MJJTWNUFXPHOLB-UHFFFAOYSA-N 693406 N-(4-((3-(2-((5-cyclopropylpiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)-2,3,6-trifluorophenyl)-1-(2- fluorophenyl)methanesulfonamide::US12071425, Compound 326::US12071425, Compound 327::US12071425, Compound 325::US12071425, Compound 324 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 22.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693406 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693406&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441208 Fc1ccccc1CS(=O)(=O)Nc1c(F)cc(Oc2ncccc2-c2ccnc(NC3CNCC(C3)C3CC3)n2)c(F)c1F InChI=1S/C30H28F4N6O3S/c31-22-6-2-1-4-18(22)16-44(41,42)40-28-23(32)13-25(26(33)27(28)34)43-29-21(5-3-10-36-29)24-9-11-37-30(39-24)38-20-12-19(14-35-15-20)17-7-8-17/h1-6,9-11,13,17,19-20,35,40H,7-8,12,14-16H2,(H,37,38,39) MJJTWNUFXPHOLB-UHFFFAOYSA-N 693406 N-(4-((3-(2-((5-cyclopropylpiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)-2,3,6-trifluorophenyl)-1-(2- fluorophenyl)methanesulfonamide::US12071425, Compound 326::US12071425, Compound 327::US12071425, Compound 325::US12071425, Compound 324 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.610 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693406 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693406&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441209 Fc1ccccc1CS(=O)(=O)Nc1c(F)cc(Oc2ncccc2-c2ccnc(NC3CNCC(C3)C3CC3)n2)c(F)c1F InChI=1S/C30H28F4N6O3S/c31-22-6-2-1-4-18(22)16-44(41,42)40-28-23(32)13-25(26(33)27(28)34)43-29-21(5-3-10-36-29)24-9-11-37-30(39-24)38-20-12-19(14-35-15-20)17-7-8-17/h1-6,9-11,13,17,19-20,35,40H,7-8,12,14-16H2,(H,37,38,39) MJJTWNUFXPHOLB-UHFFFAOYSA-N 693406 N-(4-((3-(2-((5-cyclopropylpiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)-2,3,6-trifluorophenyl)-1-(2- fluorophenyl)methanesulfonamide::US12071425, Compound 326::US12071425, Compound 327::US12071425, Compound 325::US12071425, Compound 324 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.260 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693406 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693406&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441210 COCC1CNCC(C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F InChI=1S/C29H29F3N6O4S/c1-41-16-19-12-20(15-33-14-19)36-29-35-11-9-23(37-29)21-8-5-10-34-28(21)42-24-13-22(30)27(26(32)25(24)31)38-43(39,40)17-18-6-3-2-4-7-18/h2-11,13,19-20,33,38H,12,14-17H2,1H3,(H,35,36,37) JHRKOTIOEAMUTC-UHFFFAOYSA-N 693410 US12071425, Compound 330::US12071425, Compound 331::1-phenyl-N-(2,3,6-trifluoro-4-((3-(2-((5- (methoxymethyl)piperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 329::US12071425, Compound 328 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 11.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693410 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693410&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441211 COCC1CNCC(C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F InChI=1S/C29H29F3N6O4S/c1-41-16-19-12-20(15-33-14-19)36-29-35-11-9-23(37-29)21-8-5-10-34-28(21)42-24-13-22(30)27(26(32)25(24)31)38-43(39,40)17-18-6-3-2-4-7-18/h2-11,13,19-20,33,38H,12,14-17H2,1H3,(H,35,36,37) JHRKOTIOEAMUTC-UHFFFAOYSA-N 693410 US12071425, Compound 330::US12071425, Compound 331::1-phenyl-N-(2,3,6-trifluoro-4-((3-(2-((5- (methoxymethyl)piperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 329::US12071425, Compound 328 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 12.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693410 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693410&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441212 COCC1CNCC(C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F InChI=1S/C29H29F3N6O4S/c1-41-16-19-12-20(15-33-14-19)36-29-35-11-9-23(37-29)21-8-5-10-34-28(21)42-24-13-22(30)27(26(32)25(24)31)38-43(39,40)17-18-6-3-2-4-7-18/h2-11,13,19-20,33,38H,12,14-17H2,1H3,(H,35,36,37) JHRKOTIOEAMUTC-UHFFFAOYSA-N 693410 US12071425, Compound 330::US12071425, Compound 331::1-phenyl-N-(2,3,6-trifluoro-4-((3-(2-((5- (methoxymethyl)piperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 329::US12071425, Compound 328 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 87.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693410 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693410&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441213 COCC1CNCC(C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F InChI=1S/C29H29F3N6O4S/c1-41-16-19-12-20(15-33-14-19)36-29-35-11-9-23(37-29)21-8-5-10-34-28(21)42-24-13-22(30)27(26(32)25(24)31)38-43(39,40)17-18-6-3-2-4-7-18/h2-11,13,19-20,33,38H,12,14-17H2,1H3,(H,35,36,37) JHRKOTIOEAMUTC-UHFFFAOYSA-N 693410 US12071425, Compound 330::US12071425, Compound 331::1-phenyl-N-(2,3,6-trifluoro-4-((3-(2-((5- (methoxymethyl)piperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 329::US12071425, Compound 328 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.820 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693410 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693410&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441214 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2F)c(F)c1Cl |r| InChI=1S/C27H23ClF4N6O3S/c28-23-22(11-20(31)25(24(23)32)38-42(39,40)14-15-4-1-2-6-19(15)30)41-26-18(5-3-8-34-26)21-7-9-35-27(37-21)36-17-10-16(29)12-33-13-17/h1-9,11,16-17,33,38H,10,12-14H2,(H,35,36,37) QPHJQMKSFZYMAG-UHFFFAOYSA-N 693414 N-(3-chloro-2,6-difluoro-4-((3-(2- (((3S,5S)-5-fluoropiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-1-(2- fluorophenyl)methanesulfonamide::US12071425, Compound 332 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 56.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693414 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693414&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441215 CC(C)(F)C1CNCC(C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F InChI=1S/C30H30F4N6O3S/c1-30(2,34)19-13-20(16-35-15-19)38-29-37-12-10-23(39-29)21-9-6-11-36-28(21)43-24-14-22(31)27(26(33)25(24)32)40-44(41,42)17-18-7-4-3-5-8-18/h3-12,14,19-20,35,40H,13,15-17H2,1-2H3,(H,37,38,39) GGKYXXBOAOQLQX-UHFFFAOYSA-N 693415 US12071425, Compound 334::US12071425, Compound 335::1-phenyl-N-(2,3,6-trifluoro-4-((3-(2-((5- (2-fluoropropan-2-yl)piperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide hydrochloride::US12071425, Compound 336::US12071425, Compound 333 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.190 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693415 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693415&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441216 CC(C)(F)C1CNCC(C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F InChI=1S/C30H30F4N6O3S/c1-30(2,34)19-13-20(16-35-15-19)38-29-37-12-10-23(39-29)21-9-6-11-36-28(21)43-24-14-22(31)27(26(33)25(24)32)40-44(41,42)17-18-7-4-3-5-8-18/h3-12,14,19-20,35,40H,13,15-17H2,1-2H3,(H,37,38,39) GGKYXXBOAOQLQX-UHFFFAOYSA-N 693415 US12071425, Compound 334::US12071425, Compound 335::1-phenyl-N-(2,3,6-trifluoro-4-((3-(2-((5- (2-fluoropropan-2-yl)piperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide hydrochloride::US12071425, Compound 336::US12071425, Compound 333 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 9.80 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693415 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693415&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441217 CC(C)(F)C1CNCC(C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F InChI=1S/C30H30F4N6O3S/c1-30(2,34)19-13-20(16-35-15-19)38-29-37-12-10-23(39-29)21-9-6-11-36-28(21)43-24-14-22(31)27(26(33)25(24)32)40-44(41,42)17-18-7-4-3-5-8-18/h3-12,14,19-20,35,40H,13,15-17H2,1-2H3,(H,37,38,39) GGKYXXBOAOQLQX-UHFFFAOYSA-N 693415 US12071425, Compound 334::US12071425, Compound 335::1-phenyl-N-(2,3,6-trifluoro-4-((3-(2-((5- (2-fluoropropan-2-yl)piperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide hydrochloride::US12071425, Compound 336::US12071425, Compound 333 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 330 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693415 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693415&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441218 CC(C)(F)C1CNCC(C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F InChI=1S/C30H30F4N6O3S/c1-30(2,34)19-13-20(16-35-15-19)38-29-37-12-10-23(39-29)21-9-6-11-36-28(21)43-24-14-22(31)27(26(33)25(24)32)40-44(41,42)17-18-7-4-3-5-8-18/h3-12,14,19-20,35,40H,13,15-17H2,1-2H3,(H,37,38,39) GGKYXXBOAOQLQX-UHFFFAOYSA-N 693415 US12071425, Compound 334::US12071425, Compound 335::1-phenyl-N-(2,3,6-trifluoro-4-((3-(2-((5- (2-fluoropropan-2-yl)piperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide hydrochloride::US12071425, Compound 336::US12071425, Compound 333 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.420 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693415 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693415&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441219 CC(F)(F)C1CNCC(C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F InChI=1S/C29H27F5N6O3S/c1-29(33,34)18-12-19(15-35-14-18)38-28-37-11-9-22(39-28)20-8-5-10-36-27(20)43-23-13-21(30)26(25(32)24(23)31)40-44(41,42)16-17-6-3-2-4-7-17/h2-11,13,18-19,35,40H,12,14-16H2,1H3,(H,37,38,39) JULCXOGYAAOMKJ-UHFFFAOYSA-N 693419 N-(4-((3-(2-((5-(1,1- difluoroethyl)piperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)-2,3,6-trifluorophenyl)-1- phenylmethanesulfonamdie hydrochloride::US12071425, Compound 338::US12071425, Compound 339::US12071425, Compound 337 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 8.90 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693419 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693419&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441220 CC(F)(F)C1CNCC(C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F InChI=1S/C29H27F5N6O3S/c1-29(33,34)18-12-19(15-35-14-18)38-28-37-11-9-22(39-28)20-8-5-10-36-27(20)43-23-13-21(30)26(25(32)24(23)31)40-44(41,42)16-17-6-3-2-4-7-17/h2-11,13,18-19,35,40H,12,14-16H2,1H3,(H,37,38,39) JULCXOGYAAOMKJ-UHFFFAOYSA-N 693419 N-(4-((3-(2-((5-(1,1- difluoroethyl)piperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)-2,3,6-trifluorophenyl)-1- phenylmethanesulfonamdie hydrochloride::US12071425, Compound 338::US12071425, Compound 339::US12071425, Compound 337 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 2.60 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693419 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693419&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441221 CC(F)(F)C1CNCC(C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F InChI=1S/C29H27F5N6O3S/c1-29(33,34)18-12-19(15-35-14-18)38-28-37-11-9-22(39-28)20-8-5-10-36-27(20)43-23-13-21(30)26(25(32)24(23)31)40-44(41,42)16-17-6-3-2-4-7-17/h2-11,13,18-19,35,40H,12,14-16H2,1H3,(H,37,38,39) JULCXOGYAAOMKJ-UHFFFAOYSA-N 693419 N-(4-((3-(2-((5-(1,1- difluoroethyl)piperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)-2,3,6-trifluorophenyl)-1- phenylmethanesulfonamdie hydrochloride::US12071425, Compound 338::US12071425, Compound 339::US12071425, Compound 337 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.240 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693419 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693419&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441222 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1c(Cl)cc(NS(=O)(=O)Cc2ccccc2F)c(F)c1F |r| InChI=1S/C27H23ClF4N6O3S/c28-19-11-22(38-42(39,40)14-15-4-1-2-6-20(15)30)23(31)24(32)25(19)41-26-18(5-3-8-34-26)21-7-9-35-27(37-21)36-17-10-16(29)12-33-13-17/h1-9,11,16-17,33,38H,10,12-14H2,(H,35,36,37) BPMFBXQRAPBOCH-UHFFFAOYSA-N 693422 N-(5-chloro-2,3-difluoro-4-((3-(2- (((3S,5S)-5-fluoropiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-1-(2- fluorophenyl)methanesulfonamide::US12071425, Compound 340 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 7.50 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693422 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693422&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441223 COCCN(C)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccc(F)cc2)c(F)c1F |r,wU:6.5,wD:9.12,(-6.67,-3.08,;-8,-2.31,;-8,-.77,;-9.34,,;-9.34,1.54,;-10.67,2.31,;-8,2.31,;-8,3.85,;-6.67,4.62,;-5.33,3.85,;-5.33,2.31,;-6.67,1.54,;-4,4.62,;-2.67,3.85,;-1.33,4.62,;,3.85,;,2.31,;-1.33,1.54,;-2.67,2.31,;-1.33,,;-2.67,-.77,;-2.67,-2.31,;-1.33,-3.08,;,-2.31,;,-.77,;1.33,,;2.67,-.77,;2.67,-2.31,;4,-3.08,;4,-4.62,;5.33,-2.31,;6.67,-3.08,;8,-2.31,;7.23,-.98,;8.77,-3.64,;9.34,-1.54,;9.34,,;10.67,.77,;10.67,2.31,;9.34,3.08,;9.34,4.62,;8,2.31,;8,.77,;5.33,-.77,;6.67,,;4,,;4,1.54,)| InChI=1S/C32H34F4N6O4S/c1-42(16-17-45-2)23-11-9-22(10-12-23)39-32-38-15-13-26(40-32)24-4-3-14-37-31(24)46-27-18-25(34)30(29(36)28(27)35)41-47(43,44)19-20-5-7-21(33)8-6-20/h3-8,13-15,18,22-23,41H,9-12,16-17,19H2,1-2H3,(H,38,39,40) RQSWGJZIZPCADT-UHFFFAOYSA-N 693423 1-(4-fluorophenyl)-N-(2,3,6-trifluoro-4- ((3-(2-(((1r,4r)-4-((2- methoxyethyl)(methyl)amino)cyclohexyl) amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide hydrochloride::US12071425, Compound 341 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.500 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693423 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693423&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441224 CC(F)C1CNCC(C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F InChI=1S/C29H28F4N6O3S/c1-17(30)19-12-20(15-34-14-19)37-29-36-11-9-23(38-29)21-8-5-10-35-28(21)42-24-13-22(31)27(26(33)25(24)32)39-43(40,41)16-18-6-3-2-4-7-18/h2-11,13,17,19-20,34,39H,12,14-16H2,1H3,(H,36,37,38) MHLJTIGAGKBYBE-UHFFFAOYSA-N 693424 US12071425, Compound 344::US12071425, Compound 345::1-phenyl-N-(2,3,6-trifluoro-4-((3-(2-((5- (1-fluoroethyl)piperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide hydrochloride::US12071425, Compound 343::US12071425, Compound 348::US12071425, Compound 349::US12071425, Compound 346::US12071425, Compound 347::US12071425, Compound 342 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.160 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693424 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693424&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441225 CC(F)C1CNCC(C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F InChI=1S/C29H28F4N6O3S/c1-17(30)19-12-20(15-34-14-19)37-29-36-11-9-23(38-29)21-8-5-10-35-28(21)42-24-13-22(31)27(26(33)25(24)32)39-43(40,41)16-18-6-3-2-4-7-18/h2-11,13,17,19-20,34,39H,12,14-16H2,1H3,(H,36,37,38) MHLJTIGAGKBYBE-UHFFFAOYSA-N 693424 US12071425, Compound 344::US12071425, Compound 345::1-phenyl-N-(2,3,6-trifluoro-4-((3-(2-((5- (1-fluoroethyl)piperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide hydrochloride::US12071425, Compound 343::US12071425, Compound 348::US12071425, Compound 349::US12071425, Compound 346::US12071425, Compound 347::US12071425, Compound 342 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.780 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693424 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693424&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441226 CC(F)C1CNCC(C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F InChI=1S/C29H28F4N6O3S/c1-17(30)19-12-20(15-34-14-19)37-29-36-11-9-23(38-29)21-8-5-10-35-28(21)42-24-13-22(31)27(26(33)25(24)32)39-43(40,41)16-18-6-3-2-4-7-18/h2-11,13,17,19-20,34,39H,12,14-16H2,1H3,(H,36,37,38) MHLJTIGAGKBYBE-UHFFFAOYSA-N 693424 US12071425, Compound 344::US12071425, Compound 345::1-phenyl-N-(2,3,6-trifluoro-4-((3-(2-((5- (1-fluoroethyl)piperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide hydrochloride::US12071425, Compound 343::US12071425, Compound 348::US12071425, Compound 349::US12071425, Compound 346::US12071425, Compound 347::US12071425, Compound 342 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 19.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693424 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693424&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441227 CC(F)C1CNCC(C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F InChI=1S/C29H28F4N6O3S/c1-17(30)19-12-20(15-34-14-19)37-29-36-11-9-23(38-29)21-8-5-10-35-28(21)42-24-13-22(31)27(26(33)25(24)32)39-43(40,41)16-18-6-3-2-4-7-18/h2-11,13,17,19-20,34,39H,12,14-16H2,1H3,(H,36,37,38) MHLJTIGAGKBYBE-UHFFFAOYSA-N 693424 US12071425, Compound 344::US12071425, Compound 345::1-phenyl-N-(2,3,6-trifluoro-4-((3-(2-((5- (1-fluoroethyl)piperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide hydrochloride::US12071425, Compound 343::US12071425, Compound 348::US12071425, Compound 349::US12071425, Compound 346::US12071425, Compound 347::US12071425, Compound 342 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.170 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693424 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693424&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441228 CC(F)C1CNCC(C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F InChI=1S/C29H28F4N6O3S/c1-17(30)19-12-20(15-34-14-19)37-29-36-11-9-23(38-29)21-8-5-10-35-28(21)42-24-13-22(31)27(26(33)25(24)32)39-43(40,41)16-18-6-3-2-4-7-18/h2-11,13,17,19-20,34,39H,12,14-16H2,1H3,(H,36,37,38) MHLJTIGAGKBYBE-UHFFFAOYSA-N 693424 US12071425, Compound 344::US12071425, Compound 345::1-phenyl-N-(2,3,6-trifluoro-4-((3-(2-((5- (1-fluoroethyl)piperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide hydrochloride::US12071425, Compound 343::US12071425, Compound 348::US12071425, Compound 349::US12071425, Compound 346::US12071425, Compound 347::US12071425, Compound 342 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 72.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693424 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693424&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441229 CC(F)C1CNCC(C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F InChI=1S/C29H28F4N6O3S/c1-17(30)19-12-20(15-34-14-19)37-29-36-11-9-23(38-29)21-8-5-10-35-28(21)42-24-13-22(31)27(26(33)25(24)32)39-43(40,41)16-18-6-3-2-4-7-18/h2-11,13,17,19-20,34,39H,12,14-16H2,1H3,(H,36,37,38) MHLJTIGAGKBYBE-UHFFFAOYSA-N 693424 US12071425, Compound 344::US12071425, Compound 345::1-phenyl-N-(2,3,6-trifluoro-4-((3-(2-((5- (1-fluoroethyl)piperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide hydrochloride::US12071425, Compound 343::US12071425, Compound 348::US12071425, Compound 349::US12071425, Compound 346::US12071425, Compound 347::US12071425, Compound 342 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 49.0 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693424 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693424&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441230 CC(F)C1CNCC(C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F InChI=1S/C29H28F4N6O3S/c1-17(30)19-12-20(15-34-14-19)37-29-36-11-9-23(38-29)21-8-5-10-35-28(21)42-24-13-22(31)27(26(33)25(24)32)39-43(40,41)16-18-6-3-2-4-7-18/h2-11,13,17,19-20,34,39H,12,14-16H2,1H3,(H,36,37,38) MHLJTIGAGKBYBE-UHFFFAOYSA-N 693424 US12071425, Compound 344::US12071425, Compound 345::1-phenyl-N-(2,3,6-trifluoro-4-((3-(2-((5- (1-fluoroethyl)piperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide hydrochloride::US12071425, Compound 343::US12071425, Compound 348::US12071425, Compound 349::US12071425, Compound 346::US12071425, Compound 347::US12071425, Compound 342 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.200 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693424 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693424&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441231 CC(F)C1CNCC(C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2)c(F)c1F InChI=1S/C29H28F4N6O3S/c1-17(30)19-12-20(15-34-14-19)37-29-36-11-9-23(38-29)21-8-5-10-35-28(21)42-24-13-22(31)27(26(33)25(24)32)39-43(40,41)16-18-6-3-2-4-7-18/h2-11,13,17,19-20,34,39H,12,14-16H2,1H3,(H,36,37,38) MHLJTIGAGKBYBE-UHFFFAOYSA-N 693424 US12071425, Compound 344::US12071425, Compound 345::1-phenyl-N-(2,3,6-trifluoro-4-((3-(2-((5- (1-fluoroethyl)piperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide hydrochloride::US12071425, Compound 343::US12071425, Compound 348::US12071425, Compound 349::US12071425, Compound 346::US12071425, Compound 347::US12071425, Compound 342 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 210 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693424 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693424&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441232 COCCN(C)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)C2CCCCC2)c(F)c1F |r,wU:6.5,wD:9.12,(-7.34,-3.08,;-8.67,-2.31,;-8.67,-.77,;-10,,;-10,1.54,;-11.34,2.31,;-8.67,2.31,;-8.67,3.85,;-7.34,4.62,;-6,3.85,;-6,2.31,;-7.34,1.54,;-4.67,4.62,;-3.33,3.85,;-2,4.62,;-.67,3.85,;-.67,2.31,;-2,1.54,;-3.33,2.31,;-2,,;-3.33,-.77,;-3.33,-2.31,;-2,-3.08,;-.67,-2.31,;-.67,-.77,;.67,,;2,-.77,;2,-2.31,;3.33,-3.08,;3.33,-4.62,;4.67,-2.31,;6,-3.08,;7.34,-2.31,;6.57,-.98,;8.11,-3.64,;8.67,-1.54,;8.67,,;10,.77,;11.34,,;11.34,-1.54,;10,-2.31,;4.67,-.77,;6,,;3.33,,;3.33,1.54,)| InChI=1S/C31H39F3N6O4S/c1-40(17-18-43-2)21-12-10-20(11-13-21)37-31-36-16-14-25(38-31)23-9-6-15-35-30(23)44-26-19-24(32)29(28(34)27(26)33)39-45(41,42)22-7-4-3-5-8-22/h6,9,14-16,19-22,39H,3-5,7-8,10-13,17-18H2,1-2H3,(H,36,37,38) AXLIFTPXBFGRQH-UHFFFAOYSA-N 693432 N-(2,3,6-trifluoro-4-((3-(2-(((1r,4r)-4- ((2- methoxyethyl)(methyl)amino)cyclohexyl) amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)cyclohexanesulfonamide::US12071425, Compound 350 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.420 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693432 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693432&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441233 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccc(F)cc2F)c(F)c1F |r| InChI=1S/C27H22F6N6O3S/c28-15-4-3-14(19(30)9-15)13-43(40,41)39-25-20(31)10-22(23(32)24(25)33)42-26-18(2-1-6-35-26)21-5-7-36-27(38-21)37-17-8-16(29)11-34-12-17/h1-7,9-10,16-17,34,39H,8,11-13H2,(H,36,37,38) SADGVYUBYIPSME-UHFFFAOYSA-N 693433 1-(2,4-difluorophenyl)-N-[2,3,6-trifluoro- 4-[[3-[2-[[(3S,5S)-5-fluoro-3- piperidyl]amino]pyrimidin-4-yl]-2- pyridyl]oxy]phenyl]methanesulfonamide::US12071425, Compound 351 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.910 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693433 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693433&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441234 F[C@@H]1CNCC(C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2Cl)c(F)c1F |r| InChI=1S/C27H23ClF4N6O3S/c28-19-6-2-1-4-15(19)14-42(39,40)38-25-20(30)11-22(23(31)24(25)32)41-26-18(5-3-8-34-26)21-7-9-35-27(37-21)36-17-10-16(29)12-33-13-17/h1-9,11,16-17,33,38H,10,12-14H2,(H,35,36,37) GPWRJVWCRWHBHD-UHFFFAOYSA-N 693434 1-(2-chlorophenyl)-N-[2,3,6-trifluoro-4- [[3-[2-[[(3S,5S)-5-fluoro-3- piperidyl]amino]pyrimidin-4-yl]-2- pyridyl]oxy]phenyl]methanesulfonamide::US12071425, Compound 352 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.200 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693434 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693434&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441235 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2cccc(Cl)c2)c(F)c1F |r| InChI=1S/C27H23ClF4N6O3S/c28-16-4-1-3-15(9-16)14-42(39,40)38-25-20(30)11-22(23(31)24(25)32)41-26-19(5-2-7-34-26)21-6-8-35-27(37-21)36-18-10-17(29)12-33-13-18/h1-9,11,17-18,33,38H,10,12-14H2,(H,35,36,37) ORZGZORUBYNEPG-UHFFFAOYSA-N 693435 1-(3-chlorophenyl)-N-[2,3,6-trifluoro-4- [[3-[2-[[(3S,5S)-5-fluoro-3- piperidyl]amino]pyrimidin-4-yl]-2- pyridyl]oxy]phenyl]methanesulfonamide::US12071425, Compound 353 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.300 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693435 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693435&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441236 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccc(Cl)cc2)c(F)c1F |r| InChI=1S/C27H23ClF4N6O3S/c28-16-5-3-15(4-6-16)14-42(39,40)38-25-20(30)11-22(23(31)24(25)32)41-26-19(2-1-8-34-26)21-7-9-35-27(37-21)36-18-10-17(29)12-33-13-18/h1-9,11,17-18,33,38H,10,12-14H2,(H,35,36,37) NSEBEIALHLXITL-UHFFFAOYSA-N 693436 1-(4-chlorophenyl)-N-[2,3,6-trifluroo-4- [[3-[2-[[(3S,5S)-5-fluoro-3- piperidyl]amino]pyrimidin-4-yl]-2- pyridyl]oxy]phenyl]methanesulfonamide::US12071425, Compound 354 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.200 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693436 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693436&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441237 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2F)c(F)c1F |r| InChI=1S/C27H23F5N6O3S/c28-16-10-17(13-33-12-16)36-27-35-9-7-21(37-27)18-5-3-8-34-26(18)41-22-11-20(30)25(24(32)23(22)31)38-42(39,40)14-15-4-1-2-6-19(15)29/h1-9,11,16-17,33,38H,10,12-14H2,(H,35,36,37) KLOHMRDZQYUGIH-UHFFFAOYSA-N 693437 1-(2-fluorophenyl)-N-[2,3,6-trifluoro-4- [[3-[2-[[(3S,5S)-5-fluoro-3- piperidyl]amino]pyrimidin-4-yl]-2- pyridyl]oxy]phenyl]methanesulfonamide::US12071425, Compound 355 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.200 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693437 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693437&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441238 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccn2)c(F)c1F |r| InChI=1S/C26H23F4N7O3S/c27-15-10-17(13-31-12-15)35-26-34-9-6-20(36-26)18-5-3-8-33-25(18)40-21-11-19(28)24(23(30)22(21)29)37-41(38,39)14-16-4-1-2-7-32-16/h1-9,11,15,17,31,37H,10,12-14H2,(H,34,35,36) BNURFFWEOYUQET-UHFFFAOYSA-N 693438 1-(2-pyridyl)-N-[2,3,6-trifluoro-4-[[3-[2- [[(3S,5S)-5-fluoro-3- piperidyl]amino]pyrimidin-4-yl]-2- pyridyl]oxy]phenyl]methanesulfonamide::US12071425, Compound 356 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.200 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693438 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693438&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441239 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccc(F)cc2C#N)c(F)c1F |r| InChI=1S/C28H22F5N7O3S/c29-17-4-3-15(16(8-17)11-34)14-44(41,42)40-26-21(31)10-23(24(32)25(26)33)43-27-20(2-1-6-36-27)22-5-7-37-28(39-22)38-19-9-18(30)12-35-13-19/h1-8,10,18-19,35,40H,9,12-14H2,(H,37,38,39) IQOCJADXVAVJDM-UHFFFAOYSA-N 693439 1-(2-cyano-4-fluoro-phenyl)-N-[2,3,6- trifluoro-4-[[3-[2-[[(3S,5S)-5-fluoro-3- piperidyl]amino]pyrimidin-4-yl]-2- pyridyl]oxy]phenyl]methanesulfonamide::US12071425, Compound 357 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 1.000 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693439 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693439&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441240 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2C#N)c(F)c1F |r| InChI=1S/C28H23F4N7O3S/c29-18-10-19(14-34-13-18)37-28-36-9-7-22(38-28)20-6-3-8-35-27(20)42-23-11-21(30)26(25(32)24(23)31)39-43(40,41)15-17-5-2-1-4-16(17)12-33/h1-9,11,18-19,34,39H,10,13-15H2,(H,36,37,38) LYOJCJONMUERBA-UHFFFAOYSA-N 693440 1-(2-cyanophenyl)-N-[2,3,6-trifluoro-4- [[3-[2-[[(3S,5S)-5-fluoro-3- piperidyl]amino]pyrimidin-4-yl]-2- pyridyl]oxy]phenyl]methanesulfonamide::US12071425, Compound 358 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.300 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693440 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693440&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441241 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccncc2)c(F)c1F |r| InChI=1S/C26H23F4N7O3S/c27-16-10-17(13-32-12-16)35-26-34-9-5-20(36-26)18-2-1-6-33-25(18)40-21-11-19(28)24(23(30)22(21)29)37-41(38,39)14-15-3-7-31-8-4-15/h1-9,11,16-17,32,37H,10,12-14H2,(H,34,35,36) FLHSEONRVSOMFS-UHFFFAOYSA-N 693441 1-(4-pyridyl)-N-[2,3,6-trifluoro-4-[[3-[2- [[(3S,5S)-5-fluoro-3- piperidyl]amino]pyrimidin-4-yl]-2- pyridyl]oxy]phenyl]methanesulfonamide::US12071425, Compound 359 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.300 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693441 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693441&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441242 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccc(cc2F)C#N)c(F)c1F |r| InChI=1S/C28H22F5N7O3S/c29-17-9-18(13-35-12-17)38-28-37-7-5-22(39-28)19-2-1-6-36-27(19)43-23-10-21(31)26(25(33)24(23)32)40-44(41,42)14-16-4-3-15(11-34)8-20(16)30/h1-8,10,17-18,35,40H,9,12-14H2,(H,37,38,39) LNNYOWQUAJRDHY-UHFFFAOYSA-N 693442 1-(4-cyano-2-fluoro-phenyl)-N-[2,3,6- trifluoro-4-[[3-[2-[[(3S,5S)-5-fluoro-3- piperidyl]amino]pyrimidin-4-yl]-2- pyridyl]oxy]phenyl]methanesulfonamide::US12071425, Compound 360 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.800 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693442 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693442&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441243 NC(=O)c1ccc(CS(=O)(=O)Nc2c(F)cc(Oc3ncccc3-c3ccnc(N[C@@H]4CNC[C@@H](F)C4)n3)c(F)c2F)c(F)c1 |r| InChI=1S/C28H24F5N7O4S/c29-16-9-17(12-35-11-16)38-28-37-7-5-21(39-28)18-2-1-6-36-27(18)44-22-10-20(31)25(24(33)23(22)32)40-45(42,43)13-15-4-3-14(26(34)41)8-19(15)30/h1-8,10,16-17,35,40H,9,11-13H2,(H2,34,41)(H,37,38,39) KWBQKCUCKFJPPD-UHFFFAOYSA-N 693443 3-fluoro-4-[[2,3,6-trifluoro-4-[[3-[2- [[(3S,5S)-5-fluoro-3- piperidyl]amino]pyrimidin-4-yl]-2- pyridyl]oxy]phenyl]sulfamoyl- methyl]benzamide::US12071425, Compound 361 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.300 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693443 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693443&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441244 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccc(Cl)cc2C#N)c(F)c1F |r| InChI=1S/C28H22ClF4N7O3S/c29-17-4-3-15(16(8-17)11-34)14-44(41,42)40-26-21(31)10-23(24(32)25(26)33)43-27-20(2-1-6-36-27)22-5-7-37-28(39-22)38-19-9-18(30)12-35-13-19/h1-8,10,18-19,35,40H,9,12-14H2,(H,37,38,39) ZAFIFTKDNHVSDZ-UHFFFAOYSA-N 693444 1-(4-chloro-2-cyano-phenyl)-N-[2,3,6- trifluoro-4-[[3-[2-[[(3S,5S)-5-fluoro-3- piperidyl]amino]pyrimidin-4-yl]-2- pyridyl]oxy]phenyl]methanesulfonamide::US12071425, Compound 362 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.200 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693444 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693444&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441245 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2c(F)cccc2F)c(F)c1F |r| InChI=1S/C27H22F6N6O3S/c28-14-9-15(12-34-11-14)37-27-36-8-6-21(38-27)16-3-2-7-35-26(16)42-22-10-20(31)25(24(33)23(22)32)39-43(40,41)13-17-18(29)4-1-5-19(17)30/h1-8,10,14-15,34,39H,9,11-13H2,(H,36,37,38) PEAIAFQQJHSPOP-UHFFFAOYSA-N 693445 1-(2,6-difluorophenyl)-N-[2,3,6-trifluoro- 4-[[3-[2-[[(3S,5S)-5-fluoro-3- piperidyl]amino]pyrimidin-4-yl]-2- pyridyl]oxy]phenyl]methanesulfonamide::US12071425, Compound 363 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.200 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693445 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693445&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441246 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccc(Cl)cc2F)c(F)c1F |r| InChI=1S/C27H22ClF5N6O3S/c28-15-4-3-14(19(30)8-15)13-43(40,41)39-25-20(31)10-22(23(32)24(25)33)42-26-18(2-1-6-35-26)21-5-7-36-27(38-21)37-17-9-16(29)11-34-12-17/h1-8,10,16-17,34,39H,9,11-13H2,(H,36,37,38) AKNCJONTAIKIDC-UHFFFAOYSA-N 693446 1-(4-chloro-2-fluoro-phenyl)-N-[2,3,6- trifluoro-4-[[3-[2-[[(3S,5S)-5-fluoro-3- piperidyl]amino]pyrimidin-4-yl]-2- pyridyl]oxy]phenyl]methanesulfonamide::US12071425, Compound 364 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.300 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693446 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693446&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441247 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccc(F)cc2Cl)c(F)c1F |r| InChI=1S/C27H22ClF5N6O3S/c28-19-9-15(29)4-3-14(19)13-43(40,41)39-25-20(31)10-22(23(32)24(25)33)42-26-18(2-1-6-35-26)21-5-7-36-27(38-21)37-17-8-16(30)11-34-12-17/h1-7,9-10,16-17,34,39H,8,11-13H2,(H,36,37,38) NKKLIRHBWOGDBE-UHFFFAOYSA-N 693447 1-(2-chloro-4-fluoro-phenyl)-N-[2,3,6- trifluoro-4-[[3-[2-[[(3S,5S)-5-fluoro-3- piperidyl]amino]pyrimidin-4-yl]-2- pyridyl]oxy]phenyl]methanesulfonamide::US12071425, Compound 365 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.700 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693447 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693447&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441248 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccc(F)c(Cl)c2)c(F)c1F |r| InChI=1S/C27H22ClF5N6O3S/c28-18-8-14(3-4-19(18)30)13-43(40,41)39-25-20(31)10-22(23(32)24(25)33)42-26-17(2-1-6-35-26)21-5-7-36-27(38-21)37-16-9-15(29)11-34-12-16/h1-8,10,15-16,34,39H,9,11-13H2,(H,36,37,38) CPJPIOATKCHVRN-UHFFFAOYSA-N 693448 1-(3-chloro-4-fluoro-phenyl)-N-[2,3,6- trifluoro-4-[[3-[2-[[(3S,5S)-5-fluoro-3- piperidyl]amino]pyrimidin-4-yl]-2- pyridyl]oxy]phenyl]methanesulfonamide::US12071425, Compound 366 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.200 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693448 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693448&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441249 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2c(F)cccc2Cl)c(F)c1F |r| InChI=1S/C27H22ClF5N6O3S/c28-18-4-1-5-19(30)17(18)13-43(40,41)39-25-20(31)10-22(23(32)24(25)33)42-26-16(3-2-7-35-26)21-6-8-36-27(38-21)37-15-9-14(29)11-34-12-15/h1-8,10,14-15,34,39H,9,11-13H2,(H,36,37,38) IXHCHBLVIJFLPE-UHFFFAOYSA-N 693449 1-(2-chloro-6-fluorophenyl)-N-(2,3,6- trifluoro-4-((3-(2-(((3S,5S)-5- fluoropiperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 367 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.200 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693449 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693449&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441250 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)C2CCCCC2)c(F)c1F |r| InChI=1S/C26H28F4N6O3S/c27-15-11-16(14-31-13-15)34-26-33-10-8-20(35-26)18-7-4-9-32-25(18)39-21-12-19(28)24(23(30)22(21)29)36-40(37,38)17-5-2-1-3-6-17/h4,7-10,12,15-17,31,36H,1-3,5-6,11,13-14H2,(H,33,34,35) PCWWLRYPPWSAFR-UHFFFAOYSA-N 693450 N-(2,3,6-trifluoro-4-((3-(2-(((3S,5S)-5- fluoropiperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)cyclohexanesulfonamide::US12071425, Compound 368 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.200 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693450 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693450&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441251 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)C2CCCC2)c(F)c1F |r| InChI=1S/C25H26F4N6O3S/c26-14-10-15(13-30-12-14)33-25-32-9-7-19(34-25)17-6-3-8-31-24(17)38-20-11-18(27)23(22(29)21(20)28)35-39(36,37)16-4-1-2-5-16/h3,6-9,11,14-16,30,35H,1-2,4-5,10,12-13H2,(H,32,33,34) VINMLZOWVUCXRD-UHFFFAOYSA-N 693451 N-(2,3,6-trifluoro-4-((3-(2-(((3S,5S)-5- fluoropiperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)cyclopentanesulfonamide::US12071425, Compound 369 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 1.20 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693451 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693451&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441252 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccc(cc2)C(F)(F)F)c(F)c1F |r| InChI=1S/C28H23F7N6O3S/c29-17-10-18(13-36-12-17)39-27-38-9-7-21(40-27)19-2-1-8-37-26(19)44-22-11-20(30)25(24(32)23(22)31)41-45(42,43)14-15-3-5-16(6-4-15)28(33,34)35/h1-9,11,17-18,36,41H,10,12-14H2,(H,38,39,40) GNSRZKQUJNGRSJ-UHFFFAOYSA-N 693452 N-(2,3,6-trifluoro-4-((3-(2-(((3S,5S)-5- fluoropiperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2-yl)oxy)phenyl)-1-(4- (trifluoromethyl)phenyl)methanesulfona- mide::US12071425, Compound 370 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 2.00 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693452 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693452&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441253 FC(F)c1ccc(CS(=O)(=O)Nc2c(F)cc(Oc3ncccc3-c3ccnc(N[C@@H]4CNC[C@@H](F)C4)n3)c(F)c2F)cc1 |r| InChI=1S/C28H24F6N6O3S/c29-17-10-18(13-35-12-17)38-28-37-9-7-21(39-28)19-2-1-8-36-27(19)43-22-11-20(30)25(24(32)23(22)31)40-44(41,42)14-15-3-5-16(6-4-15)26(33)34/h1-9,11,17-18,26,35,40H,10,12-14H2,(H,37,38,39) ULYOCUZFOSIYKP-UHFFFAOYSA-N 693453 1-(4-(difluoromethyl)phenyl)-N-(2,3,6- trifluoro-4-((3-(2-(((3S,5S)-5- fluoropiperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 371 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.300 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693453 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693453&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441254 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccc(F)cc2)c(F)c1F |r| InChI=1S/C27H23F5N6O3S/c28-16-5-3-15(4-6-16)14-42(39,40)38-25-20(30)11-22(23(31)24(25)32)41-26-19(2-1-8-34-26)21-7-9-35-27(37-21)36-18-10-17(29)12-33-13-18/h1-9,11,17-18,33,38H,10,12-14H2,(H,35,36,37) BKBZICAGSGRXOG-UHFFFAOYSA-N 693454 1-(4-fluorophenyl)-N-(2,3,6-trifluoro-4- ((3-(2-(((3S,5S)-5-fluoropiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 372 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.200 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693454 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693454&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441255 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2ccccc2C(F)(F)F)c(F)c1F |r| InChI=1S/C28H23F7N6O3S/c29-16-10-17(13-36-12-16)39-27-38-9-7-21(40-27)18-5-3-8-37-26(18)44-22-11-20(30)25(24(32)23(22)31)41-45(42,43)14-15-4-1-2-6-19(15)28(33,34)35/h1-9,11,16-17,36,41H,10,12-14H2,(H,38,39,40) JQMIKTLJIRLUEP-UHFFFAOYSA-N 693455 N-(2,3,6-trifluoro-4-((3-(2-(((3S,5S)-5- fluoropiperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2-yl)oxy)phenyl)-1-(2- (trifluoromethyl)phenyl)methanesulfona- mide::US12071425, Compound 373 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.300 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693455 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693455&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441256 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2cccc(c2)C(F)(F)F)c(F)c1F |r| InChI=1S/C28H23F7N6O3S/c29-17-10-18(13-36-12-17)39-27-38-8-6-21(40-27)19-5-2-7-37-26(19)44-22-11-20(30)25(24(32)23(22)31)41-45(42,43)14-15-3-1-4-16(9-15)28(33,34)35/h1-9,11,17-18,36,41H,10,12-14H2,(H,38,39,40) OTGYCIHDELTPDN-UHFFFAOYSA-N 693456 N-(2,3,6-trifluoro-4-((3-(2-(((3S,5S)-5- fluoropiperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2-yl)oxy)phenyl)-1-(3- (trifluoromethyl)phenyl)methanesulfona- mide::US12071425, Compound 374 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.200 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693456 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693456&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441257 Cc1ccc(CS(=O)(=O)Nc2c(F)cc(Oc3ncccc3-c3ccnc(N[C@@H]4CNC[C@@H](F)C4)n3)c(F)c2F)cc1 |r| InChI=1S/C28H26F4N6O3S/c1-16-4-6-17(7-5-16)15-42(39,40)38-26-21(30)12-23(24(31)25(26)32)41-27-20(3-2-9-34-27)22-8-10-35-28(37-22)36-19-11-18(29)13-33-14-19/h2-10,12,18-19,33,38H,11,13-15H2,1H3,(H,35,36,37) BGMHLNJQUJMVLC-UHFFFAOYSA-N 693457 1-p-tolyl-N-(2,3,6-trifluoro-4-((3-(2- (((3S,5S)-5-fluoropiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 375 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.400 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693457 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693457&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441258 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)CC23CCC(CC2)C3)c(F)c1F |r| InChI=1S/C28H30F4N6O3S/c29-17-10-18(14-33-13-17)36-27-35-9-5-21(37-27)19-2-1-8-34-26(19)41-22-11-20(30)25(24(32)23(22)31)38-42(39,40)15-28-6-3-16(12-28)4-7-28/h1-2,5,8-9,11,16-18,33,38H,3-4,6-7,10,12-15H2,(H,35,36,37) SKCNAMXUIJYEEA-UHFFFAOYSA-N 693458 1-(bicyclo[2.2.1]heptan-1-yl)-N-(2,3,6- trifluoro-4-((3-(2-(((3S,5S)-5- fluoropiperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 376 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.200 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693458 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693458&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441259 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)CC23CCC(CC2)CC3)c(F)c1F |r| InChI=1S/C29H32F4N6O3S/c30-18-12-19(15-34-14-18)37-28-36-11-6-22(38-28)20-2-1-10-35-27(20)42-23-13-21(31)26(25(33)24(23)32)39-43(40,41)16-29-7-3-17(4-8-29)5-9-29/h1-2,6,10-11,13,17-19,34,39H,3-5,7-9,12,14-16H2,(H,36,37,38) PRPJFIQKLZSWLV-UHFFFAOYSA-N 693459 1-(bicyclo[2.2.2]octan-1-yl)-N-(2,3,6- trifluoro-4-((3-(2-(((3S,5S)-5- fluoropiperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 377 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.800 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693459 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693459&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441260 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2cc(F)ccc2F)c(F)c1F |r| InChI=1S/C27H22F6N6O3S/c28-15-3-4-19(30)14(8-15)13-43(40,41)39-25-20(31)10-22(23(32)24(25)33)42-26-18(2-1-6-35-26)21-5-7-36-27(38-21)37-17-9-16(29)11-34-12-17/h1-8,10,16-17,34,39H,9,11-13H2,(H,36,37,38) CICLJRRYGZFRSI-UHFFFAOYSA-N 693460 1-(2,5-difluorophenyl)-N-(2,3,6-trifluoro- 4-((3-(2-(((3S,5S)-5-fluoropiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 378 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 1.10 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693460 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693460&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441261 CC(c1ccc(cc1)C#N)S(=O)(=O)Nc1ccc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c(F)c1F |r| InChI=1S/C29H27F2N7O3S/c1-18(20-8-6-19(16-32)7-9-20)42(39,40)38-24-10-11-25(27(31)26(24)30)41-28-22(5-3-14-34-28)23-12-15-35-29(37-23)36-21-4-2-13-33-17-21/h3,5-12,14-15,18,21,33,38H,2,4,13,17H2,1H3,(H,35,36,37) LEUBNNTXQLLRSH-UHFFFAOYSA-N 693461 1-(4-cyanophenyl)-N-(2,3-difluoro-4-((3- (2-(((S)-piperidin-3-yl)amino)pyrimidin- 4-yl)pyridin-2-yl)oxy)phenyl)ethane-1- sulfonamide::US12071425, Compound 379 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.300 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693461 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693461&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441262 COc1ccccc1CS(=O)(=O)Nc1ccc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c(F)c1F |r| InChI=1S/C28H28F2N6O4S/c1-39-23-9-3-2-6-18(23)17-41(37,38)36-22-10-11-24(26(30)25(22)29)40-27-20(8-5-14-32-27)21-12-15-33-28(35-21)34-19-7-4-13-31-16-19/h2-3,5-6,8-12,14-15,19,31,36H,4,7,13,16-17H2,1H3,(H,33,34,35) DRIIWJDPZYQKJE-UHFFFAOYSA-N 693462 (S)-N-(2,3-difluoro-4-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-1-(2- methoxyphenyl)methanesulfonamide::US12071425, Compound 380 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.900 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693462 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693462&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441263 Fc1c(NS(=O)(=O)C2c3ccccc3-c3ccccc23)ccc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c1F |r| InChI=1S/C33H28F2N6O3S/c34-29-27(41-45(42,43)31-23-10-3-1-8-21(23)22-9-2-4-11-24(22)31)13-14-28(30(29)35)44-32-25(12-6-17-37-32)26-15-18-38-33(40-26)39-20-7-5-16-36-19-20/h1-4,6,8-15,17-18,20,31,36,41H,5,7,16,19H2,(H,38,39,40) DCDWVNQTWBHTSN-UHFFFAOYSA-N 693463 (S)-N-(2,3-difluoro-4-((3-(2-(piperidin-3- ylamino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)-9H-fluorene-9- sulfonamide::US12071425, Compound 381 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 1.000 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693463 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693463&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441264 CN(C)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)CCC(F)(F)F)c(F)c1F |r,wU:3.2,wD:6.9,(-7.98,-6,;-8.75,-4.67,;-10.29,-4.67,;-7.98,-3.33,;-8.75,-2,;-7.98,-.67,;-6.44,-.67,;-5.67,-2,;-6.44,-3.33,;-5.67,.67,;-4.13,.67,;-3.36,2,;-1.82,2,;-1.05,.67,;-1.82,-.67,;-3.36,-.67,;-1.05,-2,;-1.82,-3.33,;-1.05,-4.67,;.49,-4.67,;1.26,-3.33,;.49,-2,;1.26,-.67,;2.8,-.67,;3.57,-2,;5.11,-2,;5.88,-3.33,;5.88,-.67,;7.42,-.67,;8.19,.67,;6.85,1.44,;9.52,-.1,;8.96,2,;10.5,2,;11.27,3.33,;12.04,4.67,;12.6,2.56,;9.93,4.1,;5.11,.67,;5.88,2,;3.57,.67,;2.8,2,)| InChI=1S/C26H28F6N6O3S/c1-38(2)16-7-5-15(6-8-16)35-25-34-12-9-19(36-25)17-4-3-11-33-24(17)41-20-14-18(27)23(22(29)21(20)28)37-42(39,40)13-10-26(30,31)32/h3-4,9,11-12,14-16,37H,5-8,10,13H2,1-2H3,(H,34,35,36) XJRNNUXLQOUYRP-UHFFFAOYSA-N 693464 N-(4-((3-(2-(((1r,4r)-4- (dimethylamino)cyclohexyl)amino)pyrimi- din-4-yl)pyridin-2-yl)oxy)-2,3,6- trifluorophenyl)-3,3,3-trifluoropropane- 1-sulfonamide::US12071425, Compound 382 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 2.00 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693464 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693464&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441265 Cc1cccc(CS(=O)(=O)Nc2c(F)cc(Oc3ncccc3-c3ccnc(N[C@@H]4CNC[C@@H](F)C4)n3)c(F)c2F)c1 |r| InChI=1S/C28H26F4N6O3S/c1-16-4-2-5-17(10-16)15-42(39,40)38-26-21(30)12-23(24(31)25(26)32)41-27-20(6-3-8-34-27)22-7-9-35-28(37-22)36-19-11-18(29)13-33-14-19/h2-10,12,18-19,33,38H,11,13-15H2,1H3,(H,35,36,37) ZBWFSFYVCZIPLE-UHFFFAOYSA-N 693465 1-m-tolyl-N-(2,3,6-trifluoro-4-((3-(2- (((3S,5S)-5-fluoropiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 383 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.700 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693465 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693465&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441266 Cc1ccc(CS(=O)(=O)Nc2c(F)cc(Oc3ncccc3-c3ccnc(N[C@@H]4CNC[C@@H](F)C4)n3)c(F)c2F)c(F)c1 |r| InChI=1S/C28H25F5N6O3S/c1-15-4-5-16(20(30)9-15)14-43(40,41)39-26-21(31)11-23(24(32)25(26)33)42-27-19(3-2-7-35-27)22-6-8-36-28(38-22)37-18-10-17(29)12-34-13-18/h2-9,11,17-18,34,39H,10,12-14H2,1H3,(H,36,37,38) LJDNFPXLQCFESM-UHFFFAOYSA-N 693466 1-(2-fluoro-4-methylphenyl)-N-(2,3,6- trifluoro-4-((3-(2-(((3S,5S)-5- fluoropiperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 384 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.300 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693466 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693466&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441267 COc1cccc(CS(=O)(=O)Nc2c(F)cc(Oc3ncccc3-c3ccnc(N[C@@H]4CNC[C@@H](F)C4)n3)c(F)c2F)c1 |r| InChI=1S/C28H26F4N6O4S/c1-41-19-5-2-4-16(10-19)15-43(39,40)38-26-21(30)12-23(24(31)25(26)32)42-27-20(6-3-8-34-27)22-7-9-35-28(37-22)36-18-11-17(29)13-33-14-18/h2-10,12,17-18,33,38H,11,13-15H2,1H3,(H,35,36,37) CIXXYBIJLLQBFY-UHFFFAOYSA-N 693467 1-(3-methoxyphenyl)-N-(2,3,6-trifluoro- 4-((3-(2-(((3S,5S)-5-fluoropiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 385 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.200 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693467 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693467&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441268 Cc1ccccc1CS(=O)(=O)Nc1c(F)cc(Oc2ncccc2-c2ccnc(N[C@@H]3CNC[C@@H](F)C3)n2)c(F)c1F |r| InChI=1S/C28H26F4N6O3S/c1-16-5-2-3-6-17(16)15-42(39,40)38-26-21(30)12-23(24(31)25(26)32)41-27-20(7-4-9-34-27)22-8-10-35-28(37-22)36-19-11-18(29)13-33-14-19/h2-10,12,18-19,33,38H,11,13-15H2,1H3,(H,35,36,37) SAWWJBZRMLBTHD-UHFFFAOYSA-N 693468 1-o-tolyl-N-(2,3,6-trifluoro-4-((3-(2- (((3S,5S)-5-fluoropiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)methanesulfonamide::US12071425, Compound 386 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.300 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693468 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693468&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441269 C[C@@H](c1ccccc1)S(=O)(=O)Nc1c(F)cc(Oc2ncccc2-c2ccnc(N[C@@H]3CNC[C@@H](F)C3)n2)c(F)c1F |r| InChI=1S/C28H26F4N6O3S/c1-16(17-6-3-2-4-7-17)42(39,40)38-26-21(30)13-23(24(31)25(26)32)41-27-20(8-5-10-34-27)22-9-11-35-28(37-22)36-19-12-18(29)14-33-15-19/h2-11,13,16,18-19,33,38H,12,14-15H2,1H3,(H,35,36,37) XRYXXALIRQQPND-UHFFFAOYSA-N 693469 (*S)-1-phenyl-N-(2,3,6-trifluoro-4-((3- (2-(((3S,5S)-5-fluoropiperidin-3- yl)amino)ppyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)ethane-1-sulfonamide::US12071425, Compound 387 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.200 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693469 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693469&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441270 C[C@H](c1ccccc1)S(=O)(=O)Nc1c(F)cc(Oc2ncccc2-c2ccnc(N[C@@H]3CNC[C@@H](F)C3)n2)c(F)c1F |r| InChI=1S/C28H26F4N6O3S/c1-16(17-6-3-2-4-7-17)42(39,40)38-26-21(30)13-23(24(31)25(26)32)41-27-20(8-5-10-34-27)22-9-11-35-28(37-22)36-19-12-18(29)14-33-15-19/h2-11,13,16,18-19,33,38H,12,14-15H2,1H3,(H,35,36,37) XRYXXALIRQQPND-UHFFFAOYSA-N 693470 (*R)-1-phenyl-N-(2,3,6-trifluoro-4-((3- (2-(((3S,5S)-5-fluoropiperidin-3- yl)amino)pyrimidin-4-yl)pyridin-2- yl)oxy)phenyl)ethane-1-sulfonamide::US12071425, Compound 388 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.800 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693470 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693470&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2 1441271 F[C@@H]1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1cc(F)c(NS(=O)(=O)Cc2cccnc2C(F)(F)F)c(F)c1F |r| InChI=1S/C27H22F7N7O3S/c28-15-9-16(12-35-11-15)39-26-38-8-5-19(40-26)17-4-2-7-37-25(17)44-20-10-18(29)23(22(31)21(20)30)41-45(42,43)13-14-3-1-6-36-24(14)27(32,33)34/h1-8,10,15-16,35,41H,9,11-13H2,(H,38,39,40) AICMRNMAUKCDKT-UHFFFAOYSA-N 693471 N-(2,3,6-trifluoro-4-((3-(2-(((3S,5S)-5- fluoropiperidin-3-yl)amino)pyrimidin-4- yl)pyridin-2-yl)oxy)phenyl)-1-(2- (trifluoromethyl)pyridin-3- yl)methanesulfonamide::US12071425, Compound 389 Serine/threonine-protein kinase/endoribonuclease IRE1 Homo sapiens 0.300 US Patent 10.7270/Q2VM4HKX aid2060281 US12071425 Braun, M; Ly, CQ; Castanedo, G; Gibbons, P; Lee, W; Rudolph, J; Blaquiere, NA; Schwarz, JB; Beveridge, R; Leclerc, J; Lemire, A; Fu, L 8/27/2024 12/6/2024 Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=693471 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5923&target=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=693471&enzyme=Serine%2Fthreonine-protein+kinase%2Fendoribonuclease+IRE1&column=ki&startPg=0&Increment=50&submit=Search 1 MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDPVLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYFDYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKVMHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMVHEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWLLIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSRDVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQKELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSGSSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL 6XDD,6W3K,6W3C,6W3B,6W3A,6URC,6XDF,6W3E,6W39,5HGI,7BMK,6HV0,4Z7H,4Z7G,4YZD,4YZC,4YZ9,6HX1,9N88,6SHC Serine/threonine-protein kinase/endoribonuclease IRE1 ERN1_HUMAN O75460 A1L457 A8K8N8 A8MXS7 Q59EE2