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Target
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial
Ligand
BDBM50563139
Substrate
n/a
Meas. Tech.
ChEMBL_2081601 (CHEMBL4737392)
Kd
7800±n/a nM
Citation
 Xu, B; Wang, ZP; Liu, Q; Yang, X; Li, X; Huang, D; Qiu, Y; Tam, KY; Zhang, SL; He, Y Synthesis, biological evaluation and structure-activity relationship of novel dichloroacetophenones targeting pyruvate dehydrogenase kinases with potent anticancer activity. Eur J Med Chem 214:0 (2021) [PubMed]  Article 
Target
Name:
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial
Synonyms:
PDHK3 | PDK3 | PDK3_HUMAN | Pyruvate dehydrogenase kinase | Pyruvate dehydrogenase kinase 3 (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:
MRLFRWLLKQPVPKQIERYSRFSPSPLSIKQFLDFGRDNACEKTSYMFLRKELPVRLANTMREVNLLPDNLLNRPSVGLVQSWYMQSFLELLEYENKSPEDPQVLDNFLQVLIKVRNRHNDVVPTMAQGVIEYKEKFGFDPFISTNIQYFLDRFYTNRISFRMLINQHTLLFGGDTNPVHPKHIGSIDPTCNVADVVKDAYETAKMLCEQYYLVAPELEVEEFNAKAPDKPIQVVYVPSHLFHMLFELFKNSMRATVELYEDRKEGYPAVKTLVTLGKEDLSIKISDLGGGVPLRKIDRLFNYMYSTAPRPSLEPTRAAPLAGFGYGLPISRLYARYFQGDLKLYSMEGVGTDAVIYLKALSSESFERLPVFNKSAWRHYKTTPEADDWSNPSSEPRDASKYKAKQ
  
Inhibitor
Name:
BDBM50563139
Synonyms:
CHEMBL4746836
Type:
Small organic molecule
Emp. Form.:
C18H18Cl2N2O4
Mol. Mass.:
397.253
SMILES:
CC(C)(CO)c1ccc(Nc2ccc(cc2[N+]([O-])=O)C(=O)C(Cl)Cl)cc1
Structure:
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