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Target
ATP-dependent translocase ABCB1
Ligand
BDBM50005480
Substrate
n/a
Meas. Tech.
ChEMBL_965057 (CHEMBL2396369)
IC50
12±n/a nM
Citation
 Gangjee, A; Zaware, N; Devambatla, RK; Raghavan, S; Westbrook, CD; Dybdal-Hargreaves, NF; Hamel, E; Mooberry, SL Synthesis of N(4)-(substituted phenyl)-N(4)-alkyl/desalkyl-9H-pyrimido[4,5-b]indole-2,4-diamines and identification of new microtubule disrupting compounds that are effective against multidrug resistant cells. Bioorg Med Chem 21:891-902 (2013) [PubMed]  Article 
Target
Name:
ATP-dependent translocase ABCB1
Synonyms:
ABCB1 | MDR1 | MDR1_HUMAN | Multidrug Resistance Transporter MDR 1 | Multidrug resistance protein 1 | Multidrug resistance protein 1/Multidrug resistance associated protein 1 | P-glycoprotein (P-gp) | P-glycoprotein 1 | PGY1
Type:
Protein
Mol. Mass.:
141503.50
Organism:
Homo sapiens (Human)
Description:
P08183
Residue:
1280
Sequence:
MDLEGDRNGGAKKKNFFKLNNKSEKDKKEKKPTVSVFSMFRYSNWLDKLYMVVGTLAAIIHGAGLPLMMLVFGEMTDIFANAGNLEDLMSNITNRSDINDTGFFMNLEEDMTRYAYYYSGIGAGVLVAAYIQVSFWCLAAGRQIHKIRKQFFHAIMRQEIGWFDVHDVGELNTRLTDDVSKINEGIGDKIGMFFQSMATFFTGFIVGFTRGWKLTLVILAISPVLGLSAAVWAKILSSFTDKELLAYAKAGAVAEEVLAAIRTVIAFGGQKKELERYNKNLEEAKRIGIKKAITANISIGAAFLLIYASYALAFWYGTTLVLSGEYSIGQVLTVFFSVLIGAFSVGQASPSIEAFANARGAAYEIFKIIDNKPSIDSYSKSGHKPDNIKGNLEFRNVHFSYPSRKEVKILKGLNLKVQSGQTVALVGNSGCGKSTTVQLMQRLYDPTEGMVSVDGQDIRTINVRFLREIIGVVSQEPVLFATTIAENIRYGRENVTMDEIEKAVKEANAYDFIMKLPHKFDTLVGERGAQLSGGQKQRIAIARALVRNPKILLLDEATSALDTESEAVVQVALDKARKGRTTIVIAHRLSTVRNADVIAGFDDGVIVEKGNHDELMKEKGIYFKLVTMQTAGNEVELENAADESKSEIDALEMSSNDSRSSLIRKRSTRRSVRGSQAQDRKLSTKEALDESIPPVSFWRIMKLNLTEWPYFVVGVFCAIINGGLQPAFAIIFSKIIGVFTRIDDPETKRQNSNLFSLLFLALGIISFITFFLQGFTFGKAGEILTKRLRYMVFRSMLRQDVSWFDDPKNTTGALTTRLANDAAQVKGAIGSRLAVITQNIANLGTGIIISFIYGWQLTLLLLAIVPIIAIAGVVEMKMLSGQALKDKKELEGSGKIATEAIENFRTVVSLTQEQKFEHMYAQSLQVPYRNSLRKAHIFGITFSFTQAMMYFSYAGCFRFGAYLVAHKLMSFEDVLLVFSAVVFGAMAVGQVSSFAPDYAKAKISAAHIIMIIEKTPLIDSYSTEGLMPNTLEGNVTFGEVVFNYPTRPDIPVLQGLSLEVKKGQTLALVGSSGCGKSTVVQLLERFYDPLAGKVLLDGKEIKRLNVQWLRAHLGIVSQEPILFDCSIAENIAYGDNSRVVSQEEIVRAAKEANIHAFIESLPNKYSTKVGDKGTQLSGGQKQRIAIARALVRQPHILLLDEATSALDTESEKVVQEALDKAREGRTCIVIAHRLSTIQNADLIVVFQNGRVKEHGTHQQLLAQKGIYFSMVSVQAGTKRQ
  
Inhibitor
Name:
BDBM50005480
Synonyms:
(-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetramethoxystilbene | (Z)-5-(3,4,5-trimethoxystyryl)-2-methoxyphenol | (combretastatin A-4)2-Methoxy-5-[2-(3,4,5-trimethoxy-phenyl)-vinyl]-phenol | (combretastin A-4)2-Methoxy-5-[2-(3,4,5-trimethoxy-phenyl)-vinyl]-phenol | 2-Methoxy-5-[(Z)-2-(3,4,5-trimethox y-phenyl)-vinyl]-phenol | 2-Methoxy-5-[(Z)-2-(3,4,5-trimethoxy-phenyl)-vinyl]-phenol | 2-Methoxy-5-[2-(3,4,5-trimethoxy-phenyl)-vinyl]-phenol | 2-methoxy-5-(3,4,5-trimethoxystyryl)phenol | 2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)vinyl]phenol | 5-(3,4,5-trimethoxystyryl)-2-methoxyphenol | 5-[(S)-2-Hydroxy-2-(3,4,5-trimethoxy-phenyl)-ethyl]-2-methoxy-phenol | CHEMBL67 | Combrestatin A-4 | Combrestatin A4 | Combretastastin A-4 | Combretastatin | Combretastatin-A4 | Combretastin A-4 | Z-Combretastatin A-4 | combretastatin A-4, (CSA4) | combretastin A4
Type:
Small organic molecule
Emp. Form.:
C18H20O5
Mol. Mass.:
316.3484
SMILES:
COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O
Structure:
Search PDB for entries with ligand similarity: