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Target
ATP-dependent translocase ABCB1
Ligand
BDBM50249817
Substrate
n/a
Meas. Tech.
ChEMBL_498553 (CHEMBL974426)
IC50
>120000±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:
Abcb1a | Abcb4 | MDR1A_MOUSE | Mdr1a | Mdr3 | P-glycoprotein (P-gp) | P-glycoprotein 1 and 3 (MDR1a/MDR1b) | P-glycoprotein 3 | Pgy-3 | Pgy3
Type:
Protein
Mol. Mass.:
140669.02
Organism:
Mus musculus (Mouse)
Description:
P21447
Residue:
1276
Sequence:
MELEEDLKGRADKNFSKMGKKSKKEKKEKKPAVSVLTMFRYAGWLDRLYMLVGTLAAIIHGVALPLMMLIFGDMTDSFASVGNVSKNSTNMSEADKRAMFAKLEEEMTTYAYYYTGIGAGVLIVAYIQVSFWCLAAGRQIHKIRQKFFHAIMNQEIGWFDVHDVGELNTRLTDDVSKINEGIGDKIGMFFQAMATFFGGFIIGFTRGWKLTLVILAISPVLGLSAGIWAKILSSFTDKELHAYAKAGAVAEEVLAAIRTVIAFGGQKKELERYNNNLEEAKRLGIKKAITANISMGAAFLLIYASYALAFWYGTSLVISKEYSIGQVLTVFFSVLIGAFSVGQASPNIEAFANARGAAYEVFKIIDNKPSIDSFSKSGHKPDNIQGNLEFKNIHFSYPSRKEVQILKGLNLKVKSGQTVALVGNSGCGKSTTVQLMQRLYDPLDGMVSIDGQDIRTINVRYLREIIGVVSQEPVLFATTIAENIRYGREDVTMDEIEKAVKEANAYDFIMKLPHQFDTLVGERGAQLSGGQKQRIAIARALVRNPKILLLDEATSALDTESEAVVQAALDKAREGRTTIVIAHRLSTVRNADVIAGFDGGVIVEQGNHDELMREKGIYFKLVMTQTAGNEIELGNEACKSKDEIDNLDMSSKDSGSSLIRRRSTRKSICGPHDQDRKLSTKEALDEDVPPASFWRILKLNSTEWPYFVVGIFCAIINGGLQPAFSVIFSKVVGVFTNGGPPETQRQNSNLFSLLFLILGIISFITFFLQGFTFGKAGEILTKRLRYMVFKSMLRQDVSWFDDPKNTTGALTTRLANDAAQVKGATGSRLAVIFQNIANLGTGIIISLIYGWQLTLLLLAIVPIIAIAGVVEMKMLSGQALKDKKELEGSGKIATEAIENFRTVVSLTREQKFETMYAQSLQIPYRNAMKKAHVFGITFSFTQAMMYFSYAACFRFGAYLVTQQLMTFENVLLVFSAIVFGAMAVGQVSSFAPDYAKATVSASHIIRIIEKTPEIDSYSTQGLKPNMLEGNVQFSGVVFNYPTRPSIPVLQGLSLEVKKGQTLALVGSSGCGKSTVVQLLERFYDPMAGSVFLDGKEIKQLNVQWLRAQLGIVSQEPILFDCSIAENIAYGDNSRVVSYEEIVRAAKEANIHQFIDSLPDKYNTRVGDKGTQLSGGQKQRIAIARALVRQPHILLLDEATSALDTESEKVVQEALDKAREGRTCIVIAHRLSTIQNADLIVVIQNGKVKEHGTHQQLLAQKGIYFSMVSVQAGAKRS
  
Inhibitor
Name:
BDBM50249817
Synonyms:
CHEMBL491928 | N-(9-(5-carboxythiophen-2-yl)-6-(dimethylamino)-3H-selenoxanthen-3-ylidene)-N-methylmethanaminium hexafluorophosphate
Type:
Small organic molecule
Emp. Form.:
C22H21N2O2SSe
Mol. Mass.:
456.44
SMILES:
CN(C)c1ccc2c(-c3ccc(s3)C(O)=O)c3ccc(cc3[se]c2c1)=[N+](C)C |(-10.27,-11.01,;-8.94,-11.78,;-8.94,-13.31,;-7.61,-11.01,;-7.6,-9.47,;-6.28,-8.7,;-4.94,-9.46,;-3.61,-8.67,;-3.62,-7.14,;-4.87,-6.24,;-4.4,-4.77,;-2.86,-4.77,;-2.38,-6.23,;-1.97,-3.52,;-.45,-3.67,;-2.61,-2.11,;-2.26,-9.45,;-.92,-8.66,;.43,-9.43,;.44,-10.99,;-.91,-11.78,;-2.26,-11.01,;-3.6,-11.78,;-4.94,-11.01,;-6.27,-11.78,;1.78,-11.75,;1.79,-13.29,;3.1,-10.98,)|
Structure:
Search PDB for entries with ligand similarity: