Reaction Details Report a problem with these data
Target
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial
Ligand
BDBM414860
Substrate
n/a
Meas. Tech.
Isothermal Titration Calorimetry
Kd
37.0±n/a nM
Citation
 Buchstaller, H Piperidinyl derivatives US Patent  US10428024 Publication Date 10/1/2019 
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:
BDBM414860
Synonyms:
4-Methoxy-N-methyl-N-[(3R,4S)-3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]benzamide | US10428024, Compound A35
Type:
Small organic molecule
Emp. Form.:
C19H25F3N2O4
Mol. Mass.:
402.408
SMILES:
COc1ccc(cc1)C(=O)N(C)[C@H]1CCN(C[C@H]1C)C(=O)[C@@](C)(O)C(F)(F)F |r|
Structure:
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