Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-[[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-7-hydroxy-3-[[5-[[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-17-[(2R)-5-oxo-5-(2-sulfoethylamino)pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]-5-oxopentanoyl]amino]-10,13-dimethyl-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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Canonical SMILES
C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)NC(=O)CCCC(=O)N[C@@H]1CC[C@@]2(C)[C@H](C[C@H](O)[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)NCCS(O)(=O)=O)[C@@]4(C)CC[C@H]23)C1
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Compound Formula C57H96N4O12S2
Compound Structure
Protein Name
 Protein Info 
Hepatic sodium/bile acid cotransporter
Protein Classification
Transporter
>
Electrochemical transporter
>
SLC superfamily of solute carriers
>
SLC10 family of sodium-bile acid co-transporters
Uniprot ID
Q14973
Gene Name
SLC10A1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2
 Cell Line Info 
Homo sapiens (Human)  3
1
IC50 = 14 nM
   TI
   LI
   LO
   TS
2
IC50 = 58.33 nM
   TI
   LI
   LO
   TS
3
IC50 = 8348 nM
   TI
   LI
   LO
   TS