Reaction Details Report a problem with these data
Target
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
Ligand
BDBM20928
Substrate
n/a
Meas. Tech.
ChEMBL_1441710 (CHEMBL3378281)
IC50
11900±n/a nM
Citation
More Info.:
Target
Name:
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
Synonyms:
PDHK1 | PDK1 | PDK1_HUMAN | Pyruvate dehydrogenase kinase | Pyruvate dehydrogenase kinase 1 (PDK1) | Pyruvate dehydrogenase kinase isoform 1
Type:
Protein
Mol. Mass.:
49255.23
Organism:
Homo sapiens (Human)
Description:
Q15118
Residue:
436
Sequence:
MRLARLLRGAALAGPGPGLRAAGFSRSFSSDSGSSPASERGVPGQVDFYARFSPSPLSMKQFLDFGSVNACEKTSFMFLRQELPVRLANIMKEISLLPDNLLRTPSVQLVQSWYIQSLQELLDFKDKSAEDAKAIYDFTDTVIRIRNRHNDVIPTMAQGVIEYKESFGVDPVTSQNVQYFLDRFYMSRISIRMLLNQHSLLFGGKGKGSPSHRKHIGSINPNCNVLEVIKDGYENARRLCDLYYINSPELELEELNAKSPGQPIQVVYVPSHLYHMVFELFKNAMRATMEHHANRGVYPPIQVHVTLGNEDLTVKMSDRGGGVPLRKIDRLFNYMYSTAPRPRVETSRAVPLAGFGYGLPISRLYAQYFQGDLKLYSLEGYGTDAVIYIKALSTDSIERLPVYNKAAWKHYNTNHEADDWCVPSREPKDMTTFRSA
Inhibitor
Name:
BDBM20928
Synonyms:
5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-[4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide | Isoxazole, 41f | US10413550, Example 78a | US11234987, Example 78a | US9718793, 78a
Type:
Small organic molecule
Emp. Form.:
C27H33N3O4
Mol. Mass.:
463.5686
SMILES:
CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(C(C)C)c(O)cc1O