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TargetATP-dependent translocase ABCB1
LigandBDBM50249906
Substrate/Competitorn/a
Meas. Tech.ChEMBL_498553 (CHEMBL974426)
IC50 4600±n/a nM
Citation Gannon, MKHolt, JJBennett, SMWetzel, BRLoo, TWBartlett, MCClarke, DMSawada, GAHiggins, JWTombline, GRaub, TJDetty, MR Rhodamine inhibitors of P-glycoprotein: an amide/thioamide"switch" for ATPase activity. J Med Chem52:3328-41 (2009) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
ATP-dependent translocase ABCB1
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:
MELEEDLKGRADKNFSKMGKKSKKEKKEKKPAVSVLTMFRYAGWLDRLYMLVGTLAAIIH
GVALPLMMLIFGDMTDSFASVGNVSKNSTNMSEADKRAMFAKLEEEMTTYAYYYTGIGAG
VLIVAYIQVSFWCLAAGRQIHKIRQKFFHAIMNQEIGWFDVHDVGELNTRLTDDVSKINE
GIGDKIGMFFQAMATFFGGFIIGFTRGWKLTLVILAISPVLGLSAGIWAKILSSFTDKEL
HAYAKAGAVAEEVLAAIRTVIAFGGQKKELERYNNNLEEAKRLGIKKAITANISMGAAFL
LIYASYALAFWYGTSLVISKEYSIGQVLTVFFSVLIGAFSVGQASPNIEAFANARGAAYE
VFKIIDNKPSIDSFSKSGHKPDNIQGNLEFKNIHFSYPSRKEVQILKGLNLKVKSGQTVA
LVGNSGCGKSTTVQLMQRLYDPLDGMVSIDGQDIRTINVRYLREIIGVVSQEPVLFATTI
AENIRYGREDVTMDEIEKAVKEANAYDFIMKLPHQFDTLVGERGAQLSGGQKQRIAIARA
LVRNPKILLLDEATSALDTESEAVVQAALDKAREGRTTIVIAHRLSTVRNADVIAGFDGG
VIVEQGNHDELMREKGIYFKLVMTQTAGNEIELGNEACKSKDEIDNLDMSSKDSGSSLIR
RRSTRKSICGPHDQDRKLSTKEALDEDVPPASFWRILKLNSTEWPYFVVGIFCAIINGGL
QPAFSVIFSKVVGVFTNGGPPETQRQNSNLFSLLFLILGIISFITFFLQGFTFGKAGEIL
TKRLRYMVFKSMLRQDVSWFDDPKNTTGALTTRLANDAAQVKGATGSRLAVIFQNIANLG
TGIIISLIYGWQLTLLLLAIVPIIAIAGVVEMKMLSGQALKDKKELEGSGKIATEAIENF
RTVVSLTREQKFETMYAQSLQIPYRNAMKKAHVFGITFSFTQAMMYFSYAACFRFGAYLV
TQQLMTFENVLLVFSAIVFGAMAVGQVSSFAPDYAKATVSASHIIRIIEKTPEIDSYSTQ
GLKPNMLEGNVQFSGVVFNYPTRPSIPVLQGLSLEVKKGQTLALVGSSGCGKSTVVQLLE
RFYDPMAGSVFLDGKEIKQLNVQWLRAQLGIVSQEPILFDCSIAENIAYGDNSRVVSYEE
IVRAAKEANIHQFIDSLPDKYNTRVGDKGTQLSGGQKQRIAIARALVRQPHILLLDEATS
ALDTESEKVVQEALDKAREGRTCIVIAHRLSTIQNADLIVVIQNGKVKEHGTHQQLLAQK
GIYFSMVSVQAGAKRS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50249906
n/a
NameBDBM50249906
Synonyms:3,6-Bis(N,N-dimethylamino)-9-(2-thienyl-5-carboxamido)-thioxanthylium Hexafluorophosphate | CHEMBL524129
TypeSmall organic molecule
Emp. Form.C22H22N3OS2
Mol. Mass.408.559
SMILESCN(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
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