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Target
Protein-serine/threonine kinase/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1/2/4, mitochondrial
Ligand
BDBM50472785
Substrate
n/a
Meas. Tech.
ChEMBL_152460 (CHEMBL761449)
IC50
2160±n/a nM
Citation
 Aicher, TD; Anderson, RC; Gao, J; Shetty, SS; Coppola, GM; Stanton, JL; Knorr, DC; Sperbeck, DM; Brand, LJ; Vinluan, CC; Kaplan, EL; Dragland, CJ; Tomaselli, HC; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Fillers, WS; DelGrande, D; Walter, RE; Mann, WR Secondary amides of (R)-3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid as inhibitors of pyruvate dehydrogenase kinase. J Med Chem 43:236-49 (2000) [PubMed]  Article 
Target
Name:
Protein-serine/threonine kinase/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1/2/4, mitochondrial
Synonyms:
Pyruvate dehydrogenase kinase
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 152460
Components:
This complex has 4 components.
Component 1
Name:
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
Synonyms:
2.7.11.2 | PDH kinase 1 | PDK p48 | PDK1_RAT | Pdh | Pdk1 | Pyruvate dehydrogenase kinase isoform 1 | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
Type:
PROTEIN
Mol. Mass.:
49088.01
Organism:
Rattus norvegicus
Description:
ChEMBL_104818
Residue:
434
Sequence:
MRLARLLRGGTSVRPLCAVPCASRSLASDSASGSGPASESGVPGQVDFYARFSPSPLSMKQFLDFGSVNACEKTSFMFLRQELPVRLANIMKEISLLPDNLLRTPSVQLVQSWYIQSLQELLDFKDKSAEDAKTIYEFTDTVIRIRNRHNDVIPTMAQGVTEYKESFGVDPVTSQNVQYFLDRFYMSRISIRMLLNQHSLLFGGKGSPSHRKHIGSINPNCDVVEVIKDGYENARRLCDLYYVNSPELELEELNAKSPGQPIQVVYVPSHLYHMVFELFKNAMRATMEHHADKGVYPPIQVHVTLGEEDLTVKMSDRGGGVPLRKIDRLFNYMYSTAPRPRVETSRAVPLAGFGYGLPISRLYAQYFQGDLKLYSLEGYGTDAVIYIKALSTESIERLPVYNKAAWKHYRTNHEADDWCVPSREPKDMTTFRSS
  
Component 2
Name:
Protein-serine/threonine kinase
Synonyms:
Pdk3
Type:
PROTEIN
Mol. Mass.:
47953.55
Organism:
Rattus norvegicus
Description:
ChEMBL_104818
Residue:
415
Sequence:
MRLFYRLLKQPVPKQIERYSRFSPSPLSIKQFLDFGRDNACEKTSYMFLRKELPVRLANTMREVNLLPDNLLNRPSVGLVQSWYMQSFLELLEYENKSPEDPRVLDNFLHVLINIRNRHNDVVPTMAQGVIEYKEKFGFDPFISSNIQYFLDRFYTNRISFRMLINQHTLLFGGDTNPAHPKHIGSIDPTCNVADVVKDAYETAKMLCEQYYLVAPELEVEEFNAKAPNKPIQVVYVPSHLFHMLFELFKNSMRATVELYEDKKEGYPAVKTLVTLGKEDLSIKISDLGGGVPLRKIDRLFNYMYSTAPRPSLEPTRAAPLAGFGYGLPISRLYARYFQGDLKLYSMEGVGTDAVIYLKALSSESFERLPVFNKSAWRHYKTTPEADDWSNPSSEPRDASKYKAKQDKIKSNKTF
  
Component 3
Name:
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial
Synonyms:
2.7.11.2 | PDH kinase 2 | PDK P45 | PDK2_RAT | Pdk2 | Pyruvate dehydrogenase kinase isoform 2 | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial
Type:
PROTEIN
Mol. Mass.:
46105.66
Organism:
Rattus norvegicus
Description:
ChEMBL_104818
Residue:
407
Sequence:
MRWFRALLKNASLAGAPKYIEHFSKFSPSPLSMKQFLDFGSSNACEKTSFTFLRQELPVRLANIMKEINLLPDRVLSTPSVQLVQSWYVQSLLDIMEFLDKDPEDHRTLSQFTDALVTIRNRHNDVVPTMAQGVLEYKDTYGDDPVSNQNIQYFLDRFYLSRISIRMLINQHTLIFDGSTNPAHPKHIGSIDPNCSVSDVVKDAYDMAKLLCDKYYMASPDLEIQEVNATNATQPIHMVYVPSHLYHMLFELFKNAMRATVESHESSLTLPPIKIMVALGEEDLSIKMSDRGGGVPLRKIERLFSYMYSTAPTPQPGTGGTPLAGFGYGLPISRLYAKYFQGDLQLFSMEGFGTDAVIYLKALSTDSVERLPVYNKSAWRHYQTIQEAGDWCVPSTEPKNTSTYRVS
  
Component 4
Name:
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
Synonyms:
2.7.11.2 | PDK4_RAT | Pdk4 | Pyruvate dehydrogenase kinase isoform 4 | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
Type:
PROTEIN
Mol. Mass.:
46681.07
Organism:
Rattus norvegicus
Description:
ChEMBL_104818
Residue:
412
Sequence:
MKAARFVMRSASSLGNAGLVPREVELFSRYSPSPLSMKQLLDFGSENACERTSFSFLRQELPVRLANILKEIDILPEHLVNTPSVQLVKSWYIQSLMDLVEFHEKSPEDQKVLSDFVDTLVKVRNRHHNVVPTMAQGILEYKDNCTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIFSDSKTGNPSHIGSIDPNCDVVAVVEDAFECAKMLCDQYYLTSPELKLTQVNGKFPGQPIHIVYVPSHLHHMLFELFKNAMRATVEHQENRPFLTPVEATVVLGKEDLTIKISDRGGGVPLRITDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSMSGYGTDAIIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSKEPKNLSKEKLAV
  
Inhibitor
Name:
BDBM50472785
Synonyms:
CHEMBL311859
Type:
Small organic molecule
Emp. Form.:
C16H20F3NO2
Mol. Mass.:
315.3307
SMILES:
CC(O)(C(=O)N1CCC(Cc2ccccc2)CC1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: