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Target
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial
Ligand
BDBM50529881
Substrate
n/a
Meas. Tech.
ChEMBL_1910758 (CHEMBL4413204)
IC50
5900±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 2, mitochondrial
Synonyms:
PDHK2 | PDK2 | PDK2_HUMAN | Pyruvate dehydrogenase kinase 2 (PDK2) | Pyruvate dehydrogenase kinase isoenzyme 1 (PDK2)
Type:
Enzyme
Mol. Mass.:
46153.78
Organism:
Homo sapiens (Human)
Description:
Q15119
Residue:
407
Sequence:
MRWVWALLKNASLAGAPKYIEHFSKFSPSPLSMKQFLDFGSSNACEKTSFTFLRQELPVRLANIMKEINLLPDRVLSTPSVQLVQSWYVQSLLDIMEFLDKDPEDHRTLSQFTDALVTIRNRHNDVVPTMAQGVLEYKDTYGDDPVSNQNIQYFLDRFYLSRISIRMLINQHTLIFDGSTNPAHPKHIGSIDPNCNVSEVVKDAYDMAKLLCDKYYMASPDLEIQEINAANSKQPIHMVYVPSHLYHMLFELFKNAMRATVESHESSLILPPIKVMVALGEEDLSIKMSDRGGGVPLRKIERLFSYMYSTAPTPQPGTGGTPLAGFGYGLPISRLYAKYFQGDLQLFSMEGFGTDAVIYLKALSTDSVERLPVYNKSAWRHYQTIQEAGDWCVPSTEPKNTSTYRVS
  
Inhibitor
Name:
BDBM50529881
Synonyms:
CHEMBL4434895
Type:
Small organic molecule
Emp. Form.:
C26H30N2O4S
Mol. Mass.:
466.592
SMILES:
CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
Structure:
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