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Target
ATP-dependent translocase ABCB1
Ligand
BDBM50249858
Substrate
n/a
Meas. Tech.
ChEMBL_498569 (CHEMBL1021068)
IC50
14000±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:
BDBM50249858
Synonyms:
12-(Dimethylamino)-2,3,6,7-tetrahydro-9-(N-morpholino-2-thienyl-5-thiocarboxamido)-1H,5H-selenoxantheno[2,3,4-ij]quinolizin-14-ium Hexafluorophosphate | CHEMBL452133
Type:
Small organic molecule
Emp. Form.:
C30H32N3OS2Se
Mol. Mass.:
593.68
SMILES:
C[N+](C)=c1ccc2c(-c3ccc(s3)C(=S)N3CCOCC3)c3cc4CCCN5CCCc(c45)c3[se]c2c1 |(17.11,-53.24,;17.1,-51.7,;18.43,-50.93,;15.76,-50.94,;15.75,-49.37,;14.4,-48.61,;13.06,-49.39,;11.71,-48.62,;11.7,-47.08,;10.45,-46.18,;10.91,-44.71,;12.46,-44.7,;12.94,-46.17,;13.35,-43.45,;12.71,-42.05,;14.88,-43.6,;15.5,-45,;17.01,-45.15,;17.91,-43.91,;17.28,-42.52,;15.76,-42.36,;10.37,-49.41,;9.03,-48.64,;7.7,-49.42,;6.37,-48.65,;5.04,-49.41,;5.04,-50.95,;6.37,-51.73,;6.37,-53.27,;7.7,-54.04,;9.03,-53.27,;9.04,-51.73,;7.7,-50.96,;10.38,-50.96,;11.72,-51.73,;13.06,-50.96,;14.42,-51.73,)|
Structure:
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