Brief Information of the Compound and Protein
Compound Name
 Compound Info 
5-(diaminomethylideneamino)-2-[[4-[[5-[(3,4-dimethoxyphenyl)sulfanylmethyl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-3,5-difluorobenzoyl]amino]pentanoic acid
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 PubChem ID
CID: 137653533
Canonical SMILES
COc1ccc(SCc2cnc(SCc3c(F)cc(cc3F)C(=O)NC(CCCNC(N)=N)C(O)=O)n2-c2ccc(F)cc2)cc1OC
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Compound Formula C32H33F3N6O5S2
Compound Structure
Protein Name
 Protein Info 
G-protein coupled bile acid receptor 1
Protein Classification
Membrane receptor
>
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
Q8TDU6
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
CL000126 NCI-H716
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 36800 nM
   TI
   LI
   LO
   TS