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 56398 CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1 InChI=1S/C14H13N5O2/c1-3-19-12-10(13(20)18(2)14(21)16-12)15-11(17-19)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3 HJXOIRIPJDWFBS-UHFFFAOYSA-N 31040 1-Ethyl-6-methyl-3-phenyl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione::1-ethyl-6-methyl-3-phenyl-pyrimido[5,4-e][1,2,4]triazine-5,7-dione::MLS000027832::cid_647501::1-ethyl-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione::SMR000008919::1-ethyl-6-methyl-3-phenyl-pyrimido[5,4-e][1,2,4]triazine-5,7-quinone::US9073941, 602 5-hydroxytryptamine receptor 1E Homo sapiens 50000 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31040 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31040&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 647501 252615292 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56399 CCN(CC)c1ccc2c(Cl)c(Br)c(=O)oc2c1 InChI=1S/C13H13BrClNO2/c1-3-16(4-2)8-5-6-9-10(7-8)18-13(17)11(14)12(9)15/h5-7H,3-4H2,1-2H3 QYVHPITUKBNDGT-UHFFFAOYSA-N 31041 cid_648878::3-bromo-4-chloro-7-(diethylamino)-1-benzopyran-2-one::3-bromo-4-chloro-7-(diethylamino)chromen-2-one::3-bromanyl-4-chloranyl-7-(diethylamino)chromen-2-one::3-Bromo-4-chloro-7-diethylamino-chromen-2-one::MLS000029629::SMR000001240::3-bromo-4-chloro-7-(diethylamino)coumarin 5-hydroxytryptamine receptor 1E Homo sapiens 999 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31041 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31041&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 648878 252615293 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56400 CC(=O)Nc1cc(OC(C)=O)c2nonc2c1OC(C)=O InChI=1S/C12H11N3O6/c1-5(16)13-8-4-9(19-6(2)17)10-11(15-21-14-10)12(8)20-7(3)18/h4H,1-3H3,(H,13,16) AABQOSHDRSWHSN-UHFFFAOYSA-N 31042 Acetic acid 7-acetoxy-5-acetylamino-benzo[1,2,5]oxadiazol-4-yl ester::cid_597363::(5-acetamido-4-acetyloxy-2,1,3-benzoxadiazol-7-yl) ethanoate::(5-acetamido-4-acetyloxy-2,1,3-benzoxadiazol-7-yl) acetate::MLS000077136::SMR000008576::acetic acid (5-acetamido-4-acetyloxy-2,1,3-benzoxadiazol-7-yl) ester::acetic acid (6-acetamido-7-acetoxy-benzofurazan-4-yl) ester 5-hydroxytryptamine receptor 1E Homo sapiens 2095 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31042 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31042&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 597363 252615294 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56401 Cc1ccc(cc1)-n1nc2-c3n[o+]n([O-])c3CCc2[n+]1[O-] InChI=1S/C13H11N5O3/c1-8-2-4-9(5-3-8)16-14-12-10(17(16)19)6-7-11-13(12)15-21-18(11)20/h2-5H,6-7H2,1H3 SXPJWROCUJCVRW-UHFFFAOYSA-N 31043 7-(4-methylphenyl)-3,6-dioxido-4,5-dihydrotriazolo[4,5-e][2,1,3]benzoxadiazole-3,6-diium::cid_650038::7-p-Tolyl-5,7-dihydro-4H-[1,2,3]triazolo[4',5':3,4]benzo[1,2-c][1,2,5]oxadiazole 3,6-dioxide::SMR000010763::7-(4-methylphenyl)-3,6-bis(oxidanidyl)-4,5-dihydro-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole-3,6-diium::MLS000075614::3,6-dioxido-7-(p-tolyl)-4,5-dihydrotriazolo[4,5-e][2,1,3]benzoxadiazole-3,6-diium 5-hydroxytryptamine receptor 1E Homo sapiens 3905 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31043 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31043&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 650038 252615295 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56402 CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1cccs1 InChI=1S/C12H11N5O2S/c1-3-17-10-8(11(18)16(2)12(19)14-10)13-9(15-17)7-5-4-6-20-7/h4-6H,3H2,1-2H3 DMDNERFCUCYCGM-UHFFFAOYSA-N 31044 1-ethyl-6-methyl-3-thiophen-2-yl-pyrimido[5,4-e][1,2,4]triazine-5,7-dione::MLS000033110::cid_653297::1-Ethyl-6-methyl-3-thiophen-2-yl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione::1-ethyl-6-methyl-3-thiophen-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione::SMR000008918::1-ethyl-6-methyl-3-(2-thienyl)pyrimido[5,4-e][1,2,4]triazine-5,7-quinone::US9073941, 610 5-hydroxytryptamine receptor 1E Homo sapiens 629 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31044 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31044&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 653297 252615296 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56403 CCn1c2ccccc2c(O)c(C(=O)Nc2nc3ccccc3[nH]2)c1=O InChI=1S/C19H16N4O3/c1-2-23-14-10-6-3-7-11(14)16(24)15(18(23)26)17(25)22-19-20-12-8-4-5-9-13(12)21-19/h3-10,24H,2H2,1H3,(H2,20,21,22,25) MSIIQGRNGMMSTR-UHFFFAOYSA-N 31045 MLS000027148::1-Ethyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid (1H-benzoimidazol-2-yl)-amide::N-(1H-benzimidazol-2-yl)-1-ethyl-2-hydroxy-4-oxo-3-quinolinecarboxamide::SMR000012636::cid_654742::N-(1H-benzimidazol-2-yl)-1-ethyl-2-hydroxy-4-oxoquinoline-3-carboxamide::N-(1H-benzimidazol-2-yl)-1-ethyl-4-hydroxy-2-keto-quinoline-3-carboxamide::N-(1H-benzimidazol-2-yl)-1-ethyl-2-oxidanyl-4-oxidanylidene-quinoline-3-carboxamide::N-(1H-benzimidazol-2-yl)-1-ethyl-2-hydroxy-4-keto-quinoline-3-carboxamide 5-hydroxytryptamine receptor 1E Homo sapiens 13980 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31045 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31045&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 54692915 252615297 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56404 Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10| InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19) MRBDMNSDAVCSSF-UHFFFAOYSA-N 31046 SMR000059054::cid_91430::3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphenyl)amino]phenol;methanesulfonic acid::MLS000069487::PHENTOLAMINE::3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol;methanesulfonic acid::PHENTOLAMINE MESYLATE::cid_5775::3-[N-(2-imidazolin-2-ylmethyl)-4-methyl-anilino]phenol;hydrochloride::3-[N-(2-imidazolin-2-ylmethyl)-4-methyl-anilino]phenol;mesylic acid 5-hydroxytryptamine receptor 1E Homo sapiens 9221 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31046 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31046&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 5775 252615298 DB00692 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56405 COC(=O)Nc1nc2ccc(Sc3ccccc3)cc2[nH]1 InChI=1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19) HDDSHPAODJUKPD-UHFFFAOYSA-N 31047 FENBENDAZOLE::(5-Phenylsulfanyl-1H-benzoimidazol-2-yl)-carbamic acid methyl ester::methyl 5-(phenylthio)-1H-benzo[d]imidazol-2-ylcarbamate::methyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate::SMR000058217::MLS000069723::cid_3334::CHEMBL37161::N-[6-(phenylthio)-1H-benzimidazol-2-yl]carbamic acid methyl ester 5-hydroxytryptamine receptor 1E Homo sapiens 50000 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31047 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31047&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 3334 252615299 CHEMBL37161 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56406 CCCOc1ccc2nc(NC(=O)OC)[nH]c2c1 InChI=1S/C12H15N3O3/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16) RAOCRURYZCVHMG-UHFFFAOYSA-N 31048 SMR000058208::OXIBENDAZOLE::MLS000069646::AJ119,(+)::methyl N-(6-propoxy-1H-benzimidazol-2-yl)carbamate::cid_4622::N-(6-propoxy-1H-benzimidazol-2-yl)carbamic acid methyl ester 5-hydroxytryptamine receptor 1E Homo sapiens 50000 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31048 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31048&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 4622 252615300 DB04910 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56407 Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10| InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19) MRBDMNSDAVCSSF-UHFFFAOYSA-N 31046 SMR000059054::cid_91430::3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphenyl)amino]phenol;methanesulfonic acid::MLS000069487::PHENTOLAMINE::3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol;methanesulfonic acid::PHENTOLAMINE MESYLATE::cid_5775::3-[N-(2-imidazolin-2-ylmethyl)-4-methyl-anilino]phenol;hydrochloride::3-[N-(2-imidazolin-2-ylmethyl)-4-methyl-anilino]phenol;mesylic acid 5-hydroxytryptamine receptor 1E Homo sapiens 10770 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31046 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31046&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 5775 252615298 DB00692 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56408 CCCc1nnc2SCC(=Nn12)c1ccc(OC)c(OC)c1 |c:9| InChI=1S/C15H18N4O2S/c1-4-5-14-16-17-15-19(14)18-11(9-22-15)10-6-7-12(20-2)13(8-10)21-3/h6-8H,4-5,9H2,1-3H3 MWEBTRAFRKXWQA-UHFFFAOYSA-N 31050 SMR000057783::cid_6603454::MLS000068749::6-(3,4-dimethoxyphenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine;hydrobromide 5-hydroxytryptamine receptor 1E Homo sapiens 50000 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31050 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31050&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 658894 252615301 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56409 COc1cccc(c1)N1CCN(CC1C)c1ncnc2c1[nH]c1ccccc21 InChI=1S/C22H23N5O/c1-15-13-26(10-11-27(15)16-6-5-7-17(12-16)28-2)22-21-20(23-14-24-22)18-8-3-4-9-19(18)25-21/h3-9,12,14-15,25H,10-11,13H2,1-2H3 PMQZKKLWAZWDDO-UHFFFAOYSA-N 31051 4-[4-(3-methoxyphenyl)-3-methyl-1-piperazinyl]-5H-pyrimido[5,4-b]indole::MLS000078378::4-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-5H-pyrimido[5,4-b]indole::SMR000040805::cid_659735::4-[4-(3-methoxyphenyl)-3-methyl-piperazin-1-yl]-5H-pyrimido[5,4-b]indole::4-[4-(3-methoxyphenyl)-3-methyl-piperazino]-5H-pyrimid[5,4-b]indole 5-hydroxytryptamine receptor 1E Homo sapiens 8238 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31051 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31051&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 659735 252615302 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56410 CCC(NC(=O)Nc1nnc(s1)C(F)(F)F)(C(F)(F)F)C(F)(F)F InChI=1S/C9H7F9N4OS/c1-2-6(8(13,14)15,9(16,17)18)20-4(23)19-5-22-21-3(24-5)7(10,11)12/h2H2,1H3,(H2,19,20,22,23) QFLKFRPNISNYBS-UHFFFAOYSA-N 31052 cid_659822::MLS000038681::1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea::SMR000040781::1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[1,1,1-tris(fluoranyl)-2-(trifluoromethyl)butan-2-yl]urea::1-[1,1-bis(trifluoromethyl)propyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea 5-hydroxytryptamine receptor 1E Homo sapiens 10090 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31052 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31052&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 659822 252615303 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56411 COc1cccc(c1)N1CCN(CC1C)c1ncnc2c3cc(F)ccc3[nH]c12 InChI=1S/C22H22FN5O/c1-14-12-27(8-9-28(14)16-4-3-5-17(11-16)29-2)22-21-20(24-13-25-22)18-10-15(23)6-7-19(18)26-21/h3-7,10-11,13-14,26H,8-9,12H2,1-2H3 LKIZLUUZCMZBLW-UHFFFAOYSA-N 31053 8-fluoranyl-4-[4-(3-methoxyphenyl)-3-methyl-piperazin-1-yl]-5H-pyrimido[5,4-b]indole::8-fluoro-4-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-5H-pyrimido[5,4-b]indole::cid_659940::SMR000040930::8-fluoro-4-[4-(3-methoxyphenyl)-3-methyl-1-piperazinyl]-5H-pyrimido[5,4-b]indole::MLS000078397::8-fluoro-4-[4-(3-methoxyphenyl)-3-methyl-piperazino]-5H-pyrimid[5,4-b]indole 5-hydroxytryptamine receptor 1E Homo sapiens 1822 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31053 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31053&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 659940 252615304 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56412 COC(=O)C(=C1\Oc2cc(C)oc(=O)c2S1)\C(F)(F)F InChI=1S/C11H7F3O5S/c1-4-3-5-7(9(16)18-4)20-10(19-5)6(8(15)17-2)11(12,13)14/h3H,1-2H3 SLLBSUNKCIFVCJ-UHFFFAOYSA-N 31054 methyl (2E)-3,3,3-tris(fluoranyl)-2-(6-methyl-4-oxidanylidene-[1,3]oxathiolo[4,5-c]pyran-2-ylidene)propanoate::cid_660939::SMR000036803::methyl (2E)-3,3,3-trifluoro-2-(6-methyl-4-oxo-[1,3]oxathiolo[4,5-c]pyran-2-ylidene)propanoate::(2E)-3,3,3-trifluoro-2-(6-methyl-4-oxo-[1,3]oxathiolo[4,5-c]pyran-2-ylidene)propanoic acid methyl ester::MLS000078159::(2E)-3,3,3-trifluoro-2-(4-keto-6-methyl-[1,3]oxathiolo[4,5-c]pyran-2-ylidene)propionic acid methyl ester 5-hydroxytryptamine receptor 1E Homo sapiens 1865 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31054 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31054&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 660939 252615305 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56413 [#6]\[#6](-[#6])=[#6]\[#6]C([#6])([#6])[#6]-[#7]-[#6](=O)-[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 InChI=1S/C16N2O/c1-13(2)10-11-16(3,4)12-17-15(19)18-14-8-6-5-7-9-14 VBDPKSURLYXLSR-UHFFFAOYSA-N 31055 cid_661085::MLS000078052::SMR000041690::1-cyclohexyl-3-(2,2,5-trimethylhex-4-enyl)urea 5-hydroxytryptamine receptor 1E Homo sapiens 50000 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31055 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31055&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 661085 252615306 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56414 CCOc1cccc(c1)-c1nnc2SCC(=Nn12)c1cc(OC)ccc1OC |c:16| InChI=1S/C20H20N4O3S/c1-4-27-15-7-5-6-13(10-15)19-21-22-20-24(19)23-17(12-28-20)16-11-14(25-2)8-9-18(16)26-3/h5-11H,4,12H2,1-3H3 RGVLXCJEACYJJP-UHFFFAOYSA-N 31056 MLS000081451::SMR000042969::cid_662235::6-(2,5-dimethoxyphenyl)-3-(3-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine::6-(2,5-dimethoxyphenyl)-3-m-phenetyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine 5-hydroxytryptamine receptor 1E Homo sapiens 32690 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31056 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31056&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 662235 252615307 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56415 COc1ccccc1-c1nnc2SCC(=Nn12)c1ccc(O)c(O)c1 |c:15| InChI=1S/C17H14N4O3S/c1-24-15-5-3-2-4-11(15)16-18-19-17-21(16)20-12(9-25-17)10-6-7-13(22)14(23)8-10/h2-8,22-23H,9H2,1H3 PKVPLCVGALGTGK-UHFFFAOYSA-N 31057 (4E)-4-[3-(2-methoxyphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ylidene]-2-oxidanyl-cyclohexa-2,5-dien-1-one::SMR000043338::MLS000081447::cid_5389565::(4E)-2-hydroxy-4-[3-(2-methoxyphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ylidene]-1-cyclohexa-2,5-dienone::(4E)-2-hydroxy-4-[3-(2-methoxyphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ylidene]cyclohexa-2,5-dien-1-one 5-hydroxytryptamine receptor 1E Homo sapiens 50000 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31057 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31057&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 5389565 252615308 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56416 CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1ccccc1OC |t:10| InChI=1S/C19H18N4O2S/c1-3-25-14-10-8-13(9-11-14)16-12-26-19-21-20-18(23(19)22-16)15-6-4-5-7-17(15)24-2/h4-11H,3,12H2,1-2H3 YARXQDMQMCNVMB-UHFFFAOYSA-N 31058 6-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine::SMR000043931::MLS000081448::cid_663143::3-(2-methoxyphenyl)-6-p-phenetyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine 5-hydroxytryptamine receptor 1E Homo sapiens 50000 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31058 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31058&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 663143 252615309 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56417 COc1cc2CCn3c(cc(nc3=O)N3CCCc4ccccc34)-c2cc1OC InChI=1S/C23H23N3O3/c1-28-20-12-16-9-11-26-19(17(16)13-21(20)29-2)14-22(24-23(26)27)25-10-5-7-15-6-3-4-8-18(15)25/h3-4,6,8,12-14H,5,7,9-11H2,1-2H3 UYPMUBFBYLWPON-UHFFFAOYSA-N 31059 2-(3,4-dihydro-2H-quinolin-1-yl)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one::SMR000044807::MLS000082045::cid_663831::2-(3,4-dihydro-2H-quinolin-1-yl)-9,10-dimethoxy-6,7-dihydropyrimid[6,1-a]isoquinolin-4-one 5-hydroxytryptamine receptor 1E Homo sapiens 50000 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31059 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31059&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 663831 252615310 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56418 Cn1c(nc2ccccc12)-c1c(N)n(C2CCCC2)c2nc3ccccc3nc12 |(8.02,2.68,;9.56,2.68,;10.45,1.44,;11.91,1.91,;11.92,3.44,;13.06,4.47,;12.75,5.98,;11.28,6.46,;10.14,5.43,;10.45,3.92,;9.98,-.02,;10.88,-1.26,;12.42,-1.26,;9.98,-2.5,;10.45,-3.96,;9.55,-5.21,;10.46,-6.46,;11.92,-5.98,;11.92,-4.44,;8.52,-2.03,;7.19,-2.8,;5.85,-2.03,;4.48,-2.85,;3.08,-2.06,;3.08,-.46,;4.48,.33,;5.85,-.49,;7.19,.28,;8.52,-.49,)| InChI=1S/C23H22N6/c1-28-18-13-7-6-12-17(18)27-22(28)19-20-23(26-16-11-5-4-10-15(16)25-20)29(21(19)24)14-8-2-3-9-14/h4-7,10-14H,2-3,8-9,24H2,1H3 NCHCGISPCBKUDS-UHFFFAOYSA-N 31060 1-cyclopentyl-3-(1-methyl-2-benzimidazolyl)-2-pyrrolo[3,2-b]quinoxalinamine::SMR000047968::MLS000083448::cid_666746::1-cyclopentyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine::[1-cyclopentyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-yl]amine 5-hydroxytryptamine receptor 1E Homo sapiens 3644 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31060 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31060&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 666746 252615311 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56419 Clc1ccc(cc1)-n1nnnc1Sc1ncnc2sccc12 InChI=1S/C13H7ClN6S2/c14-8-1-3-9(4-2-8)20-13(17-18-19-20)22-12-10-5-6-21-11(10)15-7-16-12/h1-7H FEXPLGPKTJVGOT-UHFFFAOYSA-N 31061 SMR000066808::4-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylthieno[2,3-d]pyrimidine::MLS000058692::4-[[1-(4-chlorophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]thieno[2,3-d]pyrimidine::cid_2112599::4-[[1-(4-chlorophenyl)-5-tetrazolyl]thio]thieno[2,3-d]pyrimidine::4-[[1-(4-chlorophenyl)tetrazol-5-yl]thio]thieno[2,3-d]pyrimidine 5-hydroxytryptamine receptor 1E Homo sapiens 3500 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31061 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31061&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 2112599 252615312 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56420 Cc1ccc(s1)S(=O)(=O)Nc1cccc2ncccc12 InChI=1S/C14H12N2O2S2/c1-10-7-8-14(19-10)20(17,18)16-13-6-2-5-12-11(13)4-3-9-15-12/h2-9,16H,1H3 XSYLVTQRXJCUTP-UHFFFAOYSA-N 31062 5-methyl-N-quinolin-5-ylthiophene-2-sulfonamide::5-methyl-N-quinolin-5-yl-thiophene-2-sulfonamide::5-methyl-N-(5-quinolinyl)-2-thiophenesulfonamide::cid_2082098::MLS000060442::SMR000067302::5-methyl-N-(5-quinolyl)thiophene-2-sulfonamide 5-hydroxytryptamine receptor 1E Homo sapiens 2907 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31062 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31062&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 2082098 252615313 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56421 CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1 InChI=1S/C12H9F3N2O2S/c1-20(18,19)11-16-9(8-5-3-2-4-6-8)7-10(17-11)12(13,14)15/h2-7H,1H3 HZSJKGMPEXGXBV-UHFFFAOYSA-N 31063 MLS000044644::2-methylsulfonyl-4-phenyl-6-(trifluoromethyl)pyrimidine::cid_3236803::SMR000022588::2-(methylsulfonyl)-4-phenyl-6-(trifluoromethyl)pyrimidine::2-mesyl-4-phenyl-6-(trifluoromethyl)pyrimidine 5-hydroxytryptamine receptor 1E Homo sapiens 2128 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31063 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31063&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 3236803 252615314 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56422 CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1 InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3 DYLWYHLPRCPPQD-UHFFFAOYSA-N 31064 MLS000044646::4-(2-furyl)-2-(methylsulfonyl)-6-(trifluoromethyl)pyrimidine::SMR000022590::cid_3237865::4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine::4-(furan-2-yl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine::4-(2-furyl)-2-mesyl-6-(trifluoromethyl)pyrimidine 5-hydroxytryptamine receptor 1E Homo sapiens 2257 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31064 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31064&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 3237865 252615315 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56423 COCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccccc1 InChI=1S/C19H21NO4/c1-12-17-15(20-18(12)19(22)24-9-8-23-2)10-14(11-16(17)21)13-6-4-3-5-7-13/h3-7,14,20H,8-11H2,1-2H3 AQLXIJYAVMSMFH-UHFFFAOYSA-N 31065 SMR000025505::2-methoxyethyl 3-methyl-4-oxo-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylate::3-methyl-4-oxo-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylic acid 2-methoxyethyl ester::2-methoxyethyl 3-methyl-4-oxidanylidene-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylate::2-methoxyethyl 3-methyl-4-oxo-6-phenyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate::MLS000090902::cid_3239810::4-keto-3-methyl-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylic acid 2-methoxyethyl ester 5-hydroxytryptamine receptor 1E Homo sapiens 50000 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31065 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31065&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 3239810 252615316 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56424 O=S(=O)(CCC#N)c1nnnn1-c1ccccc1 InChI=1S/C10H9N5O2S/c11-7-4-8-18(16,17)10-12-13-14-15(10)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2 NSDKNMSBULTPIG-UHFFFAOYSA-N 31066 3-(1-phenyltetrazol-5-yl)sulfonylpropanenitrile::3-[(1-phenyl-5-tetrazolyl)sulfonyl]propanenitrile::MLS000085949::SMR000021278::cid_3242053::3-[(1-phenyl-1H-tetrazol-5-yl)sulfonyl]propanenitrile::3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfonyl]propanenitrile::3-(1-phenyltetrazol-5-yl)sulfonylpropionitrile 5-hydroxytryptamine receptor 1E Homo sapiens 2790 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31066 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31066&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 3242053 252615317 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56425 COc1ccc(cc1OC)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F InChI=1S/C14H13F3N2O4S/c1-22-10-5-4-8(6-11(10)23-2)9-7-12(14(15,16)17)19-13(18-9)24(3,20)21/h4-7H,1-3H3 HVRDEPLCFBDXSG-UHFFFAOYSA-N 31067 4-(3,4-dimethoxyphenyl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine::MLS000044648::4-(3,4-dimethoxyphenyl)-2-(methylsulfonyl)-6-(trifluoromethyl)pyrimidine::SMR000022592::cid_3244140::4-(3,4-dimethoxyphenyl)-2-mesyl-6-(trifluoromethyl)pyrimidine 5-hydroxytryptamine receptor 1E Homo sapiens 2909 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31067 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31067&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 3244140 252615318 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56426 CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1cccs1 InChI=1S/C10H7F3N2O2S2/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3 OACAJASVXJLTAT-UHFFFAOYSA-N 31068 MLS000044645::cid_3245258::2-methylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine::2-(methylsulfonyl)-4-thien-2-yl-6-(trifluoromethyl)pyrimidine::SMR000022589::2-mesyl-4-(2-thienyl)-6-(trifluoromethyl)pyrimidine::US11725000, Compound 1 5-hydroxytryptamine receptor 1E Homo sapiens 1929 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31068 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31068&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 3245258 252615319 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56427 Brc1ccc(o1)C(=O)Nc1ccc(cc1)-c1nc2ncccc2o1 InChI=1S/C17H10BrN3O3/c18-14-8-7-13(23-14)16(22)20-11-5-3-10(4-6-11)17-21-15-12(24-17)2-1-9-19-15/h1-9H,(H,20,22) QGAFALXKBIYPTN-UHFFFAOYSA-N 31069 cid_1161055::5-bromo-N-(4-[1,3]oxazolo[4,5-b]pyridin-2-ylphenyl)-2-furamide::5-bromanyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide::5-bromo-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide::MLS000061716::SMR000070185::5-bromo-N-[4-(2-oxazolo[4,5-b]pyridinyl)phenyl]-2-furancarboxamide::5-bromo-N-(4-oxazolo[4,5-b]pyridin-2-ylphenyl)-2-furamide 5-hydroxytryptamine receptor 1E Homo sapiens 50000 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31069 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31069&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 1161055 252615320 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56428 COc1ccc(cc1)-n1c(O)cc(NCc2ccncc2)c1O InChI=1S/C17H17N3O3/c1-23-14-4-2-13(3-5-14)20-16(21)10-15(17(20)22)19-11-12-6-8-18-9-7-12/h2-10,19,21-22H,11H2,1H3 MAFHGZDSCIQJNB-UHFFFAOYSA-N 31070 MLS000099014::1-(4-methoxyphenyl)-3-[(4-pyridinylmethyl)amino]-2,5-pyrrolidinedione::SMR000070427::1-(4-methoxyphenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione::cid_2877659::1-(4-methoxyphenyl)-3-(4-pyridylmethylamino)pyrrolidine-2,5-quinone 5-hydroxytryptamine receptor 1E Homo sapiens 50000 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31070 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31070&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 91896122 252615321 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56429 Fc1ccc(cc1)C(=C/c1ccc(o1)N1CCCCCC1)\C#N InChI=1S/C19H19FN2O/c20-17-7-5-15(6-8-17)16(14-21)13-18-9-10-19(23-18)22-11-3-1-2-4-12-22/h5-10,13H,1-4,11-12H2 WHLNMNIEBYREDM-UHFFFAOYSA-N 31071 MLS000051438::3-[5-(1-azepanyl)-2-furyl]-2-(4-fluorophenyl)acrylonitrile::(E)-3-[5-(1-azepanyl)-2-furanyl]-2-(4-fluorophenyl)-2-propenenitrile::SMR000079763::(E)-3-[5-(azepan-1-yl)furan-2-yl]-2-(4-fluorophenyl)prop-2-enenitrile::cid_5740802::(E)-3-[5-(azepan-1-yl)-2-furyl]-2-(4-fluorophenyl)acrylonitrile 5-hydroxytryptamine receptor 1E Homo sapiens 5201 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31071 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31071&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 5740802 252615322 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56430 O=S1(=O)C=C(Sc2nnc(o2)-c2ccccc2)c2ccccc12 |t:3| InChI=1S/C16H10N2O3S2/c19-23(20)10-13(12-8-4-5-9-14(12)23)22-16-18-17-15(21-16)11-6-2-1-3-7-11/h1-10H RGXPNQXTNFLPRE-UHFFFAOYSA-N 31072 cid_890649::3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-benzothiophene 1,1-dioxide::2-[(1,1-dioxido-1-benzothien-3-yl)thio]-5-phenyl-1,3,4-oxadiazole::MLS000088644::3-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]-1-benzothiophene 1,1-dioxide::SMR000072650::3-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]benzothiophene 1,1-dioxide 5-hydroxytryptamine receptor 1E Homo sapiens 1037 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31072 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31072&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 890649 252615323 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56431 CN(C)c1nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)nc(n1)N1CCCCC1 InChI=1S/C20H26Cl2N6O3/c1-27(2)18-24-19(28-9-4-3-5-10-28)26-20(25-18)30-11-8-23-17(29)13-31-16-7-6-14(21)12-15(16)22/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,23,29) WMQKVXGIPAPYSQ-UHFFFAOYSA-N 31073 SMR000072558::2-[2,4-bis(chloranyl)phenoxy]-N-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]ethanamide::2-(2,4-dichlorophenoxy)-N-(2-{[4-(dimethylamino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]oxy}ethyl)acetamide::cid_2188965::2-(2,4-dichlorophenoxy)-N-[2-[[4-(dimethylamino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide::2-(2,4-dichlorophenoxy)-N-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide::MLS000088310::2-(2,4-dichlorophenoxy)-N-[2-[[4-(dimethylamino)-6-piperidino-s-triazin-2-yl]oxy]ethyl]acetamide 5-hydroxytryptamine receptor 1E Homo sapiens 50000 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31073 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31073&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 2188965 252615324 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56432 COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2ncccc2c1 InChI=1S/C17H16N2O3S/c1-12-5-7-15(8-6-12)23(20,21)19-16-11-14(22-2)10-13-4-3-9-18-17(13)16/h3-11,19H,1-2H3 HKRNYOZJJMFDBV-UHFFFAOYSA-N 31074 SMR000071147::cid_130606::MLS000062611::N-(6-methoxy-8-quinolinyl)-4-methylbenzenesulfonamide::N-(6-methoxyquinolin-8-yl)-4-methylbenzenesulfonamide::N-(6-methoxyquinolin-8-yl)-4-methyl-benzenesulfonamide::N-(6-methoxy-8-quinolyl)-4-methyl-benzenesulfonamide 5-hydroxytryptamine receptor 1E Homo sapiens 3753 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31074 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31074&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 130606 252615325 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56433 O=C(Nc1ccc(cc1)N1CCOCC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1 InChI=1S/C27H23N5O4/c33-27(28-18-5-8-20(9-6-18)32-11-15-34-16-12-32)29-19-7-10-21-22(17-19)31-26(24-4-2-14-36-24)25(30-21)23-3-1-13-35-23/h1-10,13-14,17H,11-12,15-16H2,(H2,28,29,33) YMYATPIQITWZDJ-UHFFFAOYSA-N 31075 N-(2,3-di-2-furyl-6-quinoxalinyl)-N'-[4-(4-morpholinyl)phenyl]urea::SMR000077571::1-[2,3-bis(2-furanyl)-6-quinoxalinyl]-3-[4-(4-morpholinyl)phenyl]urea::cid_2214554::1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-morpholin-4-ylphenyl)urea::MLS000050329::1-[2,3-bis(2-furyl)quinoxalin-6-yl]-3-(4-morpholinophenyl)urea 5-hydroxytryptamine receptor 1E Homo sapiens 17170 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31075 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31075&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 2214554 252615326 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56434 COc1ccc(cc1)-n1nnnc1S(=O)(=O)CC(=O)N1CCCCC1 InChI=1S/C15H19N5O4S/c1-24-13-7-5-12(6-8-13)20-15(16-17-18-20)25(22,23)11-14(21)19-9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3 PHXZKHFAYUVEHK-UHFFFAOYSA-N 31076 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfonyl-1-piperidin-1-ylethanone::cid_1263400::SMR000096080::2-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfonyl]-1-piperidin-1-yl-ethanone::MLS000119145::2-[[1-(4-methoxyphenyl)-5-tetrazolyl]sulfonyl]-1-(1-piperidinyl)ethanone::2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfonyl-1-piperidino-ethanone 5-hydroxytryptamine receptor 1E Homo sapiens 2612 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31076 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31076&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 1263400 252615327 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56435 COc1cc2CCN3C(NS(=O)(=O)c4ccccc4)=CCC(C#N)=C3c2cc1OC |c:19,24| InChI=1S/C22H21N3O4S/c1-28-19-12-15-10-11-25-21(24-30(26,27)17-6-4-3-5-7-17)9-8-16(14-23)22(25)18(15)13-20(19)29-2/h3-7,9,12-13,24H,8,10-11H2,1-2H3 UOSSZMYIBSKRNZ-UHFFFAOYSA-N 31077 SMR000092093::MLS000114784::cid_5308260::N-(1-cyano-9,10-dimethoxy-2,3,6,7-tetrahydrobenzo[a]quinolizin-4-ylidene)benzenesulfonamide 5-hydroxytryptamine receptor 1E Homo sapiens 50000 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31077 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31077&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 91896123 252615328 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56436 COc1ccc(cc1)C1N2CCCC2C(=O)N1c1ccc(F)cc1 InChI=1S/C19H19FN2O2/c1-24-16-10-4-13(5-11-16)18-21-12-2-3-17(21)19(23)22(18)15-8-6-14(20)7-9-15/h4-11,17-18H,2-3,12H2,1H3 RQRFRHPXDRSSOE-UHFFFAOYSA-N 31078 SMR000094164::MLS000117211::2-(4-fluorophenyl)-3-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one::cid_5308770::2-(4-fluorophenyl)-3-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrol[1,2-c]imidazol-1-one 5-hydroxytryptamine receptor 1E Homo sapiens 441000000 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31078 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31078&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 5308770 252615329 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56437 CCCOCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1cc(OC)ccc1OC InChI=1S/C23H29NO6/c1-5-8-29-9-10-30-23(26)22-14(2)21-18(24-22)11-15(12-19(21)25)17-13-16(27-3)6-7-20(17)28-4/h6-7,13,15,24H,5,8-12H2,1-4H3 PYEYDJHUHJDFDQ-UHFFFAOYSA-N 31079 cid_5214133::MLS000116025::2-propoxyethyl 6-(2,5-dimethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate::2-propoxyethyl 6-(2,5-dimethoxyphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate::SMR000093014::6-(2,5-dimethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid 2-propoxyethyl ester::6-(2,5-dimethoxyphenyl)-4-keto-3-methyl-1,5,6,7-tetrahydroindole-2-carboxylic acid 2-propoxyethyl ester 5-hydroxytryptamine receptor 1E Homo sapiens 50000 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31079 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31079&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 5214133 252615330 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56438 COc1cccc(c1)N1CCN(CC1)c1ncnc2n(ncc12)-c1ccc(C)cc1C InChI=1S/C24H26N6O/c1-17-7-8-22(18(2)13-17)30-24-21(15-27-30)23(25-16-26-24)29-11-9-28(10-12-29)19-5-4-6-20(14-19)31-3/h4-8,13-16H,9-12H2,1-3H3 YMQFPOICRLHPSY-UHFFFAOYSA-N 31080 SMR000017007::cid_1881562::1-(2,4-dimethylphenyl)-4-[4-(3-methoxyphenyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine::MLS000104018::1-(2,4-dimethylphenyl)-4-[4-(3-methoxyphenyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine::1-(2,4-dimethylphenyl)-4-[4-(3-methoxyphenyl)piperazino]pyrazolo[3,4-d]pyrimidine 5-hydroxytryptamine receptor 1E Homo sapiens 6993 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31080 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31080&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 1881562 252615331 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56439 [H]C12OC(CO)(C=C1)c1c(O)n(c(O)c21)-c1ccc(cc1)-c1ccccc1 |c:6,TLB:12:14:2:6.7,THB:9:8:2:6.7| 31081 cid_2899176::SMR000106402::MLS000110473::7-(hydroxymethyl)-2-(4-phenylphenyl)-4,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindole-1,3-dione::7-methylol-2-(4-phenylphenyl)-4,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindole-1,3-quinone 5-hydroxytryptamine receptor 1E Homo sapiens 4912 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31081 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31081&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 91896124 252615332 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56440 [#6]-[#16]-c1ccccc1-[#7]\[#6]=[#6]-1\[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-1=O InChI=1S/C16H4NO2S/c1-16(2)8-13(18)11(14(19)9-16)10-17-12-6-4-5-7-15(12)20-3/h4-7H GOZPBRALWOBZBI-UHFFFAOYSA-N 31082 SMR000111352::5,5-dimethyl-2-[[(2-methylsulfanylphenyl)amino]methylidene]cyclohexane-1,3-dione::cid_868608::MLS000106977::5,5-dimethyl-2-[(2-methylsulfanylanilino)methylidene]cyclohexane-1,3-dione::5,5-dimethyl-2-[[2-(methylthio)anilino]methylidene]cyclohexane-1,3-dione::5,5-dimethyl-2-[[2-(methylthio)anilino]methylene]cyclohexane-1,3-quinone 5-hydroxytryptamine receptor 1E Homo sapiens 2355 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31082 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31082&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 868608 252615333 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1 56441 CC(=O)Oc1ccc(cc1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1 |c:25,TLB:15:14:19:22.23,THB:11:13:19:22.23| 31083 MLS000107813::acetic acid [4-(4,7-dimethyl-1,3-dioxo-3a,7a-dihydro-octahydro-1H-4,7-epoxyisoindol-2-yl)phenyl] ester::[4-[4,7-dimethyl-1,3-bis(oxidanylidene)-3a,7a-dihydro-octahydro-1H-4,7-epoxyisoindol-2-yl]phenyl] ethanoate::[4-(4,7-dimethyl-1,3-dioxo-3a,7a-dihydro-octahydro-1H-4,7-epoxyisoindol-2-yl)phenyl] acetate::cid_2860584::SMR000103777::acetic acid [4-(1,3-diketo-4,7-dimethyl-3a,7a-dihydro-octahydro-1H-4,7-epoxyisoindol-2-yl)phenyl] ester 5-hydroxytryptamine receptor 1E Homo sapiens 2618 7.4000 23.00 C PubChem 10.7270/Q2KH0KNM aid749 PubChem, PC 6/28/2007 9/5/2009 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31083 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3737&target=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31083&enzyme=5-hydroxytryptamine+receptor+1E&column=ki&startPg=0&Increment=50&submit=Search 91896125 252615334 1 MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT 7E33 5-hydroxytryptamine receptor 1E 5HT1E_HUMAN P28566 E1P503 Q9P1Y1