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Target
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial
Ligand
BDBM50032655
Substrate
n/a
Meas. Tech.
ChEMBL_1441724 (CHEMBL3378295)
IC50
5336±n/a nM
Citation
 Meng, T; Zhang, D; Xie, Z; Yu, T; Wu, S; Wyder, L; Regenass, U; Hilpert, K; Huang, M; Geng, M; Shen, J Discovery and optimization of 4,5-diarylisoxazoles as potent dual inhibitors of pyruvate dehydrogenase kinase and heat shock protein 90. J Med Chem 57:9832-43 (2014) [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:
BDBM50032655
Synonyms:
CHEMBL3354665
Type:
Small organic molecule
Emp. Form.:
C29H26ClN3O6
Mol. Mass.:
547.986
SMILES:
COc1ccccc1N1CCN(CC1)C(=O)\C=C\c1noc(c1-c1ccc(O)cc1)-c1cc(Cl)c(O)cc1O
Structure:
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