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Target
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
Ligand
BDBM50472816
Substrate
n/a
Meas. Tech.
ChEMBL_152460 (CHEMBL761449)
IC50
10000±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:
[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:
BDBM50472816
Synonyms:
CHEMBL310616
Type:
Small organic molecule
Emp. Form.:
C14H23NO2
Mol. Mass.:
237.3379
SMILES:
CC(C)(O)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:6:7:13:10.9.11,16:15:13:10.9.11,THB:6:7:10.9.16:12.14.13,16:10:7.15.14:13,11:10:7:12.14.13,11:12:7:10.9.16,(4.19,-14.79,;4.62,-13.3,;4.19,-11.81,;3.08,-13.3,;6.11,-13.7,;6.09,-15.24,;7.42,-12.94,;8.77,-13.7,;9.93,-13.3,;9.91,-11.76,;10.83,-10.08,;12.15,-10.83,;12.4,-12.56,;11.63,-13.89,;11.14,-12.99,;9.52,-12.37,;9.5,-10.83,)|
Structure:
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