Ki Summary

Reaction Details

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Target

[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial

Ligand

BDBM50472833

Substrate

n/a

Meas. Tech.

ChEMBL_152460 (CHEMBL761449)

IC50

11000±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

More Info.:

Get all data from this article, Assay Method

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:

BDBM50472833

Synonyms:

CHEMBL1907671

Type:

Small organic molecule

Emp. Form.:

C14H20F3NO2

Mol. Mass.:

291.3093

SMILES:

[H]C12CC3([H])CC([H])(C1)C(NC(=O)[C@](C)(O)C(F)(F)F)C([H])(C2)C3 |r,wU:13.14,wD:13.15,TLB:10:9:8:3.5.2,23:20:8:3.5.2,THB:2:1:9:3.23.5,2:3:9:1.22.8,10:9:1.22.8:3.23.5,23:3:9.20.22:8,(17.73,-11.74,;16.06,-11.92,;15.8,-10.19,;14.49,-9.43,;15.33,-7.94,;13.57,-11.12,;13.59,-12.65,;13.19,-14.33,;15.29,-13.26,;12.42,-13.07,;11.08,-12.3,;9.76,-13.07,;9.74,-14.6,;8.28,-12.65,;7.86,-14.13,;6.75,-12.65,;7.86,-11.17,;7.51,-9.8,;8.81,-9.86,;6.4,-10.51,;13.17,-11.73,;11.85,-10.53,;14.81,-12.35,;13.15,-10.19,)|

Structure: