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Target
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial
Ligand
BDBM426363
Substrate
n/a
Meas. Tech.
Biochemical Activity Assay
IC50
1650±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:
BDBM426363
Synonyms:
US10526325, Compound A39 | US10829489, Compound A39 | US11261185, Example 39
Type:
Small organic molecule
Emp. Form.:
C17H24F3N3O3
Mol. Mass.:
375.386
SMILES:
C[C@H]1CN(Cc2cnn(C3CCC(O)CC3)c12)C(=O)[C@@](C)(O)C(F)(F)F |wU:1.0,19.23,wD:19.21,(2.53,5.92,;2.53,4.38,;3.86,3.61,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;-.74,5.55,;-2.25,5.87,;-2.73,7.34,;-1.7,8.48,;-2.17,9.95,;-.19,8.16,;.29,6.7,;1.2,3.61,;5.2,1.3,;5.2,-.24,;6.53,2.07,;5.76,3.41,;7.3,.74,;7.87,2.84,;9.2,3.61,;7.1,4.18,;8.64,1.51,)|
Structure:
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