Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(4R)-4-[(3R,5S,6R,7R,8S,9S,10S,11R,13R,14S,17R)-6-ethyl-3,7,11-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
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Canonical SMILES
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC(O)=O)[C@@]3(C)C[C@@H](O)[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
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Compound Formula C26H44O5
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 = 41500 nM
   TI
   LI
   LO
   TS