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Target
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
Ligand
BDBM50208911
Substrate
n/a
Meas. Tech.
ChEMBL_1633253 (CHEMBL3876045)
IC50
136±n/a nM
Citation
 Katz, JD; Haidle, A; Childers, KK; Zabierek, AA; Jewell, JP; Hou, Y; Altman, MD; Szewczak, A; Chen, D; Harsch, A; Hayashi, M; Warren, L; Hutton, M; Nuthall, H; Su, HP; Munshi, S; Stanton, MG; Davies, IW; Munoz, B; Northrup, A Structure guided design of a series of selective pyrrolopyrimidinone MARK inhibitors. Bioorg Med Chem Lett 27:114-120 (2017) [PubMed]  Article 
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:
BDBM50208911
Synonyms:
CHEMBL3884319
Type:
Small organic molecule
Emp. Form.:
C23H22N4O2
Mol. Mass.:
386.4464
SMILES:
CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
Structure:
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