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Target
ATP-dependent translocase ABCB1
Ligand
BDBM50249906
Substrate
n/a
Meas. Tech.
ChEMBL_498553 (CHEMBL974426)
IC50
4600±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:
BDBM50249906
Synonyms:
3,6-Bis(N,N-dimethylamino)-9-(2-thienyl-5-carboxamido)-thioxanthylium Hexafluorophosphate | CHEMBL524129
Type:
Small organic molecule
Emp. Form.:
C22H22N3OS2
Mol. Mass.:
408.559
SMILES:
CN(C)c1ccc2c(-c3ccc(s3)C(N)=O)c3ccc(cc3sc2c1)=[N+](C)C |(-7.56,-34.74,;-6.23,-35.51,;-6.23,-37.04,;-4.9,-34.74,;-4.89,-33.2,;-3.57,-32.43,;-2.23,-33.19,;-.9,-32.4,;-.91,-30.87,;.32,-29.95,;-.16,-28.49,;-1.7,-28.5,;-2.17,-29.97,;-2.61,-27.26,;-1.99,-25.86,;-4.14,-27.44,;.45,-33.18,;1.79,-32.39,;3.14,-33.16,;3.15,-34.72,;1.8,-35.51,;.45,-34.74,;-.89,-35.51,;-2.23,-34.74,;-3.56,-35.51,;4.49,-35.48,;4.5,-37.02,;5.81,-34.71,)|
Structure:
Search PDB for entries with ligand similarity: