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Target
ATP-dependent translocase ABCB1
Ligand
BDBM50249852
Substrate
n/a
Meas. Tech.
ChEMBL_498569 (CHEMBL1021068)
IC50
9000±n/a nM
Citation
 Gannon, MK; Holt, JJ; Bennett, SM; Wetzel, BR; Loo, TW; Bartlett, MC; Clarke, DM; Sawada, GA; Higgins, JW; Tombline, G; Raub, TJ; Detty, MR Rhodamine inhibitors of P-glycoprotein: an amide/thioamide"switch" for ATPase activity. J Med Chem 52:3328-41 (2009) [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:
BDBM50249852
Synonyms:
3,6-Bis(dimethylamino)-9-(N-piperidyl-2-thienyl-5-thiocarboxamido)selenoxanthylium Hexafluorophosphate | CHEMBL492602
Type:
Small organic molecule
Emp. Form.:
C27H30N3S2Se
Mol. Mass.:
539.64
SMILES:
CN(C)c1ccc2c(-c3ccc(s3)C(=S)N3CCCCC3)c3ccc(cc3[se]c2c1)=[N+](C)C |(6.12,-24.59,;7.46,-25.36,;7.46,-26.9,;8.79,-24.59,;8.79,-23.05,;10.12,-22.27,;11.46,-23.04,;12.79,-22.25,;12.79,-20.71,;11.54,-19.81,;12,-18.35,;13.54,-18.34,;14.03,-19.8,;14.44,-17.09,;13.8,-15.68,;15.96,-17.24,;16.59,-18.63,;18.1,-18.79,;19,-17.55,;18.37,-16.15,;16.85,-15.99,;14.15,-23.03,;15.49,-22.24,;16.84,-23.01,;16.85,-24.58,;15.5,-25.36,;14.15,-24.59,;12.81,-25.36,;11.46,-24.59,;10.13,-25.36,;18.19,-25.34,;18.2,-26.88,;19.52,-24.56,)|
Structure:
Search PDB for entries with ligand similarity: