Brief Information of the Compound and Protein
Compound Name
[(1S,2R,4S,5S,6S,7R,8S,9R,12R)-4,5,8-triacetyloxy-7-benzoyloxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-12-yl] pyridine-3-carboxylate
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PubChem ID
CID: 132526821
Canonical SMILES
C[C@@H]1C[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]2(C)[C@@H](OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@@H]3[C@@H](OC(=O)c4cccnc4)[C@]12OC3(C)C
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Compound Formula C34H39NO11
Compound Structure
Protein Name
ATP-dependent translocase ABCB1
Protein Classification
Transporter
>
Primary active transporter
>
ATP-binding cassette
>
ABCB subfamily
Uniprot ID
P08183
Gene Name
ABCB1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000838 MDR-KB-VCR Homo sapiens (Human)  2
1
IC50 < 8 nM
   TI
   LI
   LO
   TS
2
IC50 = 64 nM
   TI
   LI
   LO
   TS