Reaction Details Report a problem with these data
Target
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial
Ligand
BDBM501405
Substrate
n/a
Meas. Tech.
Biochemical Activity Assay
IC50
29000±n/a nM
Citation
 Buchstaller, H Piperidinyl-propanone derivatives US Patent  US11026936 Publication Date 6/8/2021 
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:
BDBM501405
Synonyms:
US11026936, Compound A42
Type:
Small organic molecule
Emp. Form.:
C21H25F3N4O4
Mol. Mass.:
454.4428
SMILES:
COc1ccc(cn1)-c1nnc(o1)C1(CC1)[C@@H]1CCN(C[C@@H]1C)C(=O)[C@@](C)(O)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: