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Target
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial
Ligand
BDBM50529879
Substrate
n/a
Meas. Tech.
ChEMBL_1910759 (CHEMBL4413205)
IC50
8300±n/a nM
Citation
 Wu, DM; Wang, YJ; Fan, SH; Zhang, ZF; Shan, Q; Lu, J; Chen, GQ; Zheng, YL High-throughput screening of novel pyruvate dehydrogenase kinases inhibitors and biological evaluation of their in vitro and in vivo antiproliferative activity. Eur J Med Chem 164:252-262 (2019) [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:
BDBM50529879
Synonyms:
CHEMBL4434775
Type:
Small organic molecule
Emp. Form.:
C17H24N4OS2
Mol. Mass.:
364.529
SMILES:
C[C@H]1CCc2c(C1)sc1nc(SCCN3CCCC3)n(N)c(=O)c21 |r|
Structure:
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