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Target
ATP-dependent translocase ABCB1
Ligand
BDBM50249854
Substrate
n/a
Meas. Tech.
ChEMBL_498571 (CHEMBL1021070)
IC50
130±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:
BDBM50249854
Synonyms:
12-(Dimethylamino)-2,3,6,7-tetrahydro-9-(N-piperidyl-2-thienyl-5-thiocarboxamido)-1H,5H-thioxantheno[2,3,4-ij]quinolizin-14-ium Hexafluorophosphate | CHEMBL450642
Type:
Small organic molecule
Emp. Form.:
C31H34N3S3
Mol. Mass.:
544.816
SMILES:
C[N+](C)=c1ccc2c(-c3ccc(s3)C(=S)N3CCCCC3)c3cc4CCCN5CCCc(c45)c3sc2c1 |(1.53,-38.85,;1.52,-37.31,;2.85,-36.53,;.18,-36.55,;.16,-34.98,;-1.19,-34.21,;-2.53,-35,;-3.88,-34.22,;-3.89,-32.68,;-5.14,-31.78,;-4.67,-30.32,;-3.13,-30.31,;-2.65,-31.77,;-2.23,-29.06,;-2.88,-27.65,;-.71,-29.21,;-.09,-30.6,;1.43,-30.76,;2.32,-29.52,;1.7,-28.12,;.17,-27.96,;-5.22,-35.01,;-6.55,-34.24,;-7.88,-35.02,;-9.22,-34.25,;-10.55,-35.02,;-10.55,-36.56,;-9.22,-37.33,;-9.22,-38.87,;-7.89,-39.64,;-6.55,-38.87,;-6.55,-37.33,;-7.88,-36.56,;-5.21,-36.56,;-3.87,-37.33,;-2.52,-36.56,;-1.17,-37.33,)|
Structure:
Search PDB for entries with ligand similarity: