Brief Information of the Compound and Protein
Compound Name
 Compound Info 
sodium;[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3-methoxy-10,13-dimethyl-17-[(2R)-5-oxo-5-pyrrolidin-1-ylpentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl] sulfate
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 PubChem ID
CID: 155542354
Canonical SMILES
[Na+].CO[C@@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](OS([O-])(=O)=O)[C@H]1[C@@H]3CC[C@H]([C@H](C)CCC(=O)N4CCCC4)[C@@]3(C)CC[C@H]21
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Compound Formula C29H48NNaO6S
Compound Structure
Protein Name
 Protein Info 
G-protein coupled bile acid receptor 1
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
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 > 30000 nM
   TI
   LI
   LO
   TS