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Target
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial
Ligand
BDBM472700
Substrate
n/a
Meas. Tech.
Isothermal Titration Calorimetry
Kd
<300±n/a nM
Citation
 Buchstaller, H Bicyclic heterocyclic derivatives US Patent  US10829489 Publication Date 11/10/2020 
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:
BDBM472700
Synonyms:
(R)-3,3,3-Trifluoro-2-hydroxy-2-methyl-1-(7-methyl-1-phenyl-1,4,6,7-tetra-hydro-pyrazolo[4,3-c]pyridin-5-yl)-propan-1-one (A16); Mixture of Diastereomers | US10829489, Compound A16 | US11261185, Example 16
Type:
Small organic molecule
Emp. Form.:
C17H18F3N3O2
Mol. Mass.:
353.3389
SMILES:
CC1CN(Cc2cnn(c12)-c1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F |r,w:1.0|
Structure:
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