Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
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 PubChem ID
CID: 440071
Canonical SMILES
C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)OS(O)(=O)=O
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Compound Formula C26H45NO8S2
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)
>
Lipid-like ligand receptor (family A GPCR)
>
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
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
EC50 = 47800 nM
   TI
   LI
   LO
   TS