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Target
ATP-dependent translocase ABCB1
Ligand
BDBM50249730
Substrate
n/a
Meas. Tech.
ChEMBL_498556 (CHEMBL974429)
IC50
6800±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:
BDBM50249730
Synonyms:
12-(Dimethylamino)-2,3,6,7-tetrahydro-9-(4-N,N-dimethylaminophenyl)-1H,5Hselenoxantheno[2,3,4-ij]quinolizin-14-ium Hexafluorophosphate | CHEMBL491577
Type:
Small organic molecule
Emp. Form.:
C29H32N3Se
Mol. Mass.:
501.54
SMILES:
CN(C)c1ccc(cc1)-c1c2ccc(cc2[se]c2c3CCCN4CCCc(cc12)c34)=[N+](C)C |(17.95,-43.48,;16.62,-44.26,;15.29,-43.49,;16.63,-45.8,;15.29,-46.58,;15.3,-48.11,;16.63,-48.87,;17.97,-48.1,;17.96,-46.57,;16.64,-50.41,;17.99,-51.18,;19.33,-50.4,;20.68,-51.16,;20.7,-52.73,;19.35,-53.52,;17.99,-52.75,;16.65,-53.52,;15.31,-52.75,;13.97,-53.52,;13.97,-55.06,;12.63,-55.83,;11.3,-55.05,;11.3,-53.51,;9.97,-52.74,;9.97,-51.2,;11.3,-50.43,;12.64,-51.21,;13.97,-50.43,;15.3,-51.19,;12.63,-52.75,;22.03,-53.49,;22.04,-55.03,;23.36,-52.71,)|
Structure:
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