Brief Information of the Compound and Protein
Compound Name
(1S,9E,13S,17S,20S,23S,29S,55S,60R,63S)-63-(aminomethyl)-50-fluoro-20-[(1R)-1-hydroxyethyl]-23-[(4-methoxyphenyl)methyl]-29,60-dimethyl-12-oxa-34,68-dithia-16,19,22,25,31,41,42,43,46,56,58,61,64-tridecazadecacyclo[36.19.12.13,7.116,55.136,40.141,44.146,53.013,17.025,29.047,52]tetraheptaconta-3,5,7(74),9,36(73),37,39,42,44(72),47(52),48,50,53(71)-tridecaene-18,21,24,30,57,59,62,65,70-nonone
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PubChem ID
CID: 166632239
Canonical SMILES
COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](CN)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1
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Compound Formula C71H85FN14O12S2
Compound Structure
Protein Name
Solute carrier organic anion transporter family member 1B1
Protein Classification
Transporter
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Electrochemical transporter
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SLC superfamily of solute carriers
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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
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 600 nM
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