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Target
Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial
Ligand
BDBM50615069
Substrate
n/a
Meas. Tech.
ChEMBL_2299608
Ki
30±n/a nM
Citation
 Chan, AHY; Ho, TCS; Fathoni, I; Pope, R; Saliba, KJ; Leeper, FJ Inhibition of Thiamine Diphosphate-Dependent Enzymes by Triazole-Based Thiamine Analogues. ACS Med Chem Lett 14:621-628 (2023) [PubMed] 
Target
Name:
Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial
Synonyms:
1.2.4.1 | PDHA1 | PDHE1-A type I | Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial
Type:
PROTEIN
Mol. Mass.:
43128.05
Organism:
Sus scrofa
Description:
ChEMBL_116756
Residue:
389
Sequence:
GKMLAAVSRVLSGVAQKPASRVLVASRTFANDATFEIKKCDLHRLEEGPPVTTVLTREDGLKYYRMMQTVRRMELKADQLYKQKIIRGFCHLCDGQEACCVGLEAGINPTDHLITAYRAHGFTFTRGLSVREILAELTGRRGGCGKGKGGSMHMYAKNFYGGNGIVGAQVPLGAGIALACKYNGKDEVCLTLYGDGAANQGQIFEAYNMAALWKLPCVFICENNRYGMGTSVERAAASTDYYKRGDFIPGLRVDGMDILCVREATRFAAAYCRSGKGPILMELQTYRYHGHSMSDPGVSYRTREEIQEVRSKSDPIMLLKDRMVNSNLASVEELKEIDVEVRKEIEDAAQFATADPEPPLEELGYHIYCNDPPFEVRGANQWIKFKSIS
  
Inhibitor
Name:
BDBM50615069
Synonyms:
CHEMBL5271689
Type:
Small organic molecule
Emp. Form.:
C21H25N9O
Mol. Mass.:
419.4829
SMILES:
COc1ccc(cc1)-c1cn(CCCCc2cn(Cc3cnc(C)nc3N)nn2)nn1
Structure:
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