Brief Information of the Compound and Protein
Compound Name
[(2R,3R,4S,5R)-3-[(2R,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bR)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
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PubChem ID
CID: 24721251
Canonical SMILES
C[C@@H]1O[C@H](O[C@H]2[C@H](O)CO[C@@H](O[C@H]3[C@H](C)O[C@H](O[C@@H]4[C@@H](O)[C@H](O)CO[C@@H]4OC(=O)[C@]45CCC(C)(C)C[C@@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]4(C)C[C@H]5O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
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Compound Formula C58H94O25
Compound Structure
Protein Name
Solute carrier organic anion transporter family member 1B1
Protein Classification
Transporter
>
Electrochemical transporter
>
SLC superfamily of solute carriers
>
SLC21/SLCO family of organic anion transporting polypeptides
Uniprot ID
Q9Y6L6
Gene Name
SLCO1B1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 = 3311.31 nM
   TI
   LI
   LO
   TS
2
Ki = 1820 nM
   TI
   LI
   LO
   TS