Brief Information of the Compound and Protein
Compound Name
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-methylpropyl)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]carbamate
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PubChem ID
CID: 213039
SID: 12015589
Canonical SMILES
CC(C)CN(C[C@@H](O)[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 C27H37N3O7S
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
CL000924 12D7-MDR1 Homo sapiens (Human)  2
1
IC50 = 33200 nM
   TI
   LI
   LO
   TS
2
IC50 = 60000 nM
   TI
   LI
   LO
   TS
CL000598 hCMEC/D3 Homo sapiens (Human)  2
1
IC50 = 6600 nM
   TI
   LI
   LO
   TS
2
IC50 = 15400 nM
   TI
   LI
   LO
   TS
CL000036 MDCK-II Canis lupus familiaris (Dog)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS