Brief Information of the Compound and Protein
Compound Name
(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone
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PubChem ID
CID: 5284373
SID: 12013381
Canonical SMILES
CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
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Compound Formula C62H111N11O12
Compound Structure
Protein Name
ATP-binding cassette sub-family C member 2
Protein Classification
Transporter
>
Primary active transporter
>
ATP-binding cassette
>
ABCC subfamily
Uniprot ID
Q92887
Gene Name
ABCC2
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000036 MDCK-II Canis lupus familiaris (Dog)  2
1
IC50 = 13600 nM
   TI
   LI
   LO
   TS
2
IC50 = 25600 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 14500 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 16270 nM
2 IC50 = 20000 nM