Brief Information of the Compound and Protein
Compound Name
 Compound Info 
[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methyl 4-[[4-[(2R,3S)-3-[[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxycarbonylamino]-1-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-4-phenylbutan-2-yl]oxy-4-oxobutyl]disulfanyl]butanoate
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 PubChem ID
CID: 155512908
Canonical SMILES
CC(C)CN(C[C@@H](OC(=O)CCCSSCCCC(=O)OC[C@H]1C[C@H](C=C1)n1cnc2c(NC3CC3)nc(N)nc12)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1
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Compound Formula C49H65N9O10S3
Compound Structure
Protein Name
 Protein Info 
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
CL000924 12D7-MDR1
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 500 nM
   TI
   LI
   LO
   TS
2
IC50 = 510 nM
   TI
   LI
   LO
   TS
CL000598 hCMEC/D3
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 80 nM
   TI
   LI
   LO
   TS
2
IC50 = 90 nM
   TI
   LI
   LO
   TS