Reaction Details
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[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial
Ligand
BDBM50587504
Substrate
n/a
Meas. Tech.
ChEMBL_2172731 (CHEMBL5057865)
IC50
5.1±n/a nM
Citation
Bessho, Y; Akaki, T; Hara, Y; Yamakawa, M; Obika, S; Mori, G; Ubukata, M; Yasue, K; Nakane, Y; Terasako, Y; Orita, T; Doi, S; Iwanaga, T; Fujishima, A; Adachi, T; Ueno, H; Motomura, T Structure-based drug design of novel and highly potent pyruvate dehydrogenase kinase inhibitors. Bioorg Med Chem 52:0 (2021) [PubMed] Article More Info.:
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:
BDBM50587504
Synonyms:
CHEMBL5087040
Type:
Small organic molecule
Emp. Form.:
C24H25N5O3
Mol. Mass.:
431.487
SMILES:
Cc1nc(N2C[C@H](C[C@H]2CO)c2ccc([nH]2)C(O)=O)c2c(n1)[nH]c1c(cccc21)C1CC1 |r|
Structure:
