BDBM50565075 CHEMBL4784453

SMILES c1ccc(cc1)OCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O

InChI Key InChIKey=VLRIGNDIFPKPGQ-UHFFFAOYSA-N

Data  2 KI

PDB links: 3 PDB IDs match this monomer.

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50565075   

TargetLong-chain-fatty-acid--AMP ligase FadD28(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50565075(CHEMBL4784453)
Affinity DataKi:  710nMAssay Description:Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetMedium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50565075(CHEMBL4784453)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of Mycobacterium tuberculosis H37Rv FACL19 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed