Brief Information of the Compound and Protein
Compound Name
4-[[(5-[[(3,4-Dimethoxyphenyl)sulfanyl]methyl]-1-(4-fluorophenyl)-1H-imidazol-2-yl)sulfanyl]methyl]-3,5-difluoro-N-[2-(trimethylamino)ethyl]benzamide hydrochloride
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PubChem ID
CID: 137646769
Canonical SMILES
COc1ccc(SCc2cnc(SCc3c(F)cc(C(=O)NCC[N+](C)(C)C)cc3F)n2-c2ccc(F)cc2)cc1OC.[Cl-]
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Compound Formula C31H34ClF3N4O3S2
Compound Structure
Protein Name
G-protein coupled bile acid receptor 1
Protein Classification
Membrane receptor
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Family A G protein-coupled receptor
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Small molecule receptor (family A GPCR)
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Lipid-like ligand receptor (family A GPCR)
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Steroid-like ligand receptor
Uniprot ID
Q80SS6
Gene Name
GPBAR1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000851 STC 1 Homo sapiens (Human)  1
1
EC50 = 2300 nM
   TI
   LI
   LO
   TS