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Target
ATP-dependent translocase ABCB1
Ligand
BDBM50249648
Substrate
n/a
Meas. Tech.
ChEMBL_498569 (CHEMBL1021068)
IC50
4700±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:
BDBM50249648
Synonyms:
CHEMBL523281 | Dimethyl-(8-phenyl-2,3,5,6-tetrahydro-1H,4H-13-thia-3a-aza-benzo[de]naphthacen-11-ylidene)-ammonium hexafluoro phosphate
Type:
Small organic molecule
Emp. Form.:
C27H27N2S
Mol. Mass.:
411.581
SMILES:
C[N+](C)=c1ccc2c(-c3ccccc3)c3cc4CCCN5CCCc(c45)c3sc2c1 |(9.97,-10.86,;9.96,-9.32,;11.29,-8.54,;8.62,-8.56,;8.61,-6.99,;7.26,-6.23,;5.92,-7.01,;4.56,-6.24,;4.56,-4.7,;3.22,-3.94,;3.22,-2.41,;4.55,-1.63,;5.89,-2.4,;5.89,-3.93,;3.23,-7.02,;1.89,-6.26,;.56,-7.03,;-.77,-6.26,;-2.1,-7.03,;-2.1,-8.57,;-.77,-9.34,;-.77,-10.88,;.56,-11.65,;1.89,-10.88,;1.9,-9.35,;.56,-8.57,;3.24,-8.58,;4.58,-9.35,;5.92,-8.57,;7.27,-9.35,)|
Structure:
Search PDB for entries with ligand similarity: