Reaction Details Report a problem with these data
Target
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial
Ligand
BDBM50236039
Substrate
n/a
Meas. Tech.
ChEBML_1660050
Ki
2980±n/a nM
Citation
 Liu, Y; Xie, Z; Zhao, D; Zhu, J; Mao, F; Tang, S; Xu, H; Luo, C; Geng, M; Huang, M; Li, J Development of the First Generation of Disulfide-Based Subtype-Selective and Potent Covalent Pyruvate Dehydrogenase Kinase 1 (PDK1) Inhibitors. J Med Chem 60:2227-2244 (2017) [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:
BDBM50236039
Synonyms:
CHEMBL4092859
Type:
Small organic molecule
Emp. Form.:
C14H24N2O4S4
Mol. Mass.:
412.611
SMILES:
COC[C@@H]1COCCN1C(=S)SSC(=S)N1CCOC[C@H]1COC |r|
Structure:
Search PDB for entries with ligand similarity: