Brief Information of the Compound and Protein
Compound Name
(3-{4-[5-[(3,4-Dimethoxy-phenyl)-methylamino]-1-(4-fluoro-phenyl)-1H-imidazol-2-ylsulfanylmethyl]-3,5-difluoro-phenyl}-prop-2-ynyl)-trimethylammonium iodide
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PubChem ID
CID: 118577308
Canonical SMILES
COc1ccc(N(C)c2cnc(SCc3c(F)cc(C#CC[N+](C)(C)C)cc3F)n2-c2ccc(F)cc2)cc1OC.[I-]
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Compound Formula C31H32F3IN4O2S
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
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 7.5 nM
   TI
   LI
   LO
   TS