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TargetPyruvate dehydrogenase kinase 3 (PDK3)
LigandBDBM50236530
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1659266
IC50 40±n/a nM
Citation Brough PABaker LBedford SBrown KChavda SChell VD'Alessandro JDavies NGDavis BLe Strat LMacias ATMaddox DMahon PCMassey AJMatassova NMcKenna SMeissner JWMoore JDMurray JBNorthfield CJParry CParsons RRoughley SDShaw TSimmonite HStokes SSurgenor AStefaniak ERobertson AWang YWebb PWhitehead NWood M Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase. J Med Chem 60:2271-2286 (2017) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Pyruvate dehydrogenase kinase 3 (PDK3)
Name:Pyruvate dehydrogenase kinase
Synonyms:PDHK3 | PDK3 | Pyruvate dehydrogenase kinase isoform 3 | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial
Type:Enzyme
Mol. Mass.:46944.89
Organism:Homo sapiens (Human)
Description:Q15120
Residue:406
Sequence:
MRLFRWLLKQPVPKQIERYSRFSPSPLSIKQFLDFGRDNACEKTSYMFLRKELPVRLANT
MREVNLLPDNLLNRPSVGLVQSWYMQSFLELLEYENKSPEDPQVLDNFLQVLIKVRNRHN
DVVPTMAQGVIEYKEKFGFDPFISTNIQYFLDRFYTNRISFRMLINQHTLLFGGDTNPVH
PKHIGSIDPTCNVADVVKDAYETAKMLCEQYYLVAPELEVEEFNAKAPDKPIQVVYVPSH
LFHMLFELFKNSMRATVELYEDRKEGYPAVKTLVTLGKEDLSIKISDLGGGVPLRKIDRL
FNYMYSTAPRPSLEPTRAAPLAGFGYGLPISRLYARYFQGDLKLYSMEGVGTDAVIYLKA
LSSESFERLPVFNKSAWRHYKTTPEADDWSNPSSEPRDASKYKAKQ
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50236530
n/a
NameBDBM50236530
Synonyms:CHEMBL3727577
TypeSmall organic molecule
Emp. Form.C28H23ClF2N4O4
Mol. Mass.552.956
SMILESCc1cnc(Cl)nc1-c1ccc(cc1)N(Cc1ccc(CNC(=O)C(F)F)cc1)C(=O)c1ccc(O)cc1O
Structure
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