Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-[[(1R,8R,11S,12R,14S,15R,16S,19R,20S,23R,24R,35R,36R,39S,40R,43S,44R,45S,47S,48S)-14,45-dihydroxy-11,19,24,35,40,48-hexamethyl-27,32-dioxo-7-oxa-2,3,4,28,31-pentazadecacyclo[45.3.1.12,5.18,12.011,16.015,20.019,23.036,40.039,44.043,48]tripentaconta-3,5(53)-diene-29-carbonyl]amino]ethanesulfonic acid
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Canonical SMILES
C[C@@H]1CCC(=O)NCC(NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H](O)C[C@@H]5C[C@@H](CC[C@]5(C)[C@H]4CC[C@]23C)OCc2cn(nn2)[C@@H]2CC[C@@]3(C)[C@H](C[C@H](O)[C@H]4[C@@H]5CC[C@H]1[C@@]5(C)CC[C@H]34)C2)C(=O)NCCS(O)(=O)=O
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Compound Formula C56H90N6O9S
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 = 23.5 nM
   TI
   LI
   LO
   TS
2
IC50 = 54 nM
   TI
   LI
   LO
   TS
3
IC50 = 81.5 nM
   TI
   LI
   LO
   TS