Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM50054543
Substrate
n/a
Meas. Tech.
ChEMBL_52874 (CHEMBL666233)
IC50
251±n/a nM
Citation
Kuo, EA; Hambleton, PT; Kay, DP; Evans, PL; Matharu, SS; Little, E; McDowall, N; Jones, CB; Hedgecock, CJ; Yea, CM; Chan, AW; Hairsine, PW; Ager, IR; Tully, WR; Williamson, RA; Westwood, R Synthesis, structure-activity relationships, and pharmacokinetic properties of dihydroorotate dehydrogenase inhibitors: 2-cyano-3-cyclopropyl-3-hydroxy-N-[3'-methyl-4'-(trifluoromethyl)phenyl ] propenamide and related compounds. J Med Chem 39:4608-21 (1996) [PubMed] Article
More Info.:
Target
Name:
Dihydroorotate dehydrogenase (quinone), mitochondrial
Synonyms:
DHOdehase | Dhodh | Dihydroorotate Dehydrogenase (DHODH) | Dihydroorotate dehydrogenase, mitochondrial precursor | Dihydroorotate oxidase | PYRD_RAT
Type:
Enzyme
Mol. Mass.:
42672.97
Organism:
Rattus norvegicus (rat)
Description:
The enzyme assay was performed with the histidine-tagged enzyme without cleavage of the tag.
Residue:
395
Sequence:
MAWRQLRKRALDAVIILGGGGLLFTSYLTATGDDHFYAEYLMPGLQRLLDPESAHRLAVRVTSLGLLPRATFQDSDMLEVKVLGHKFRNPVGIAAGFDKNGEAVDGLYKLGFGFVEVGSVTPQPQEGNPRPRVFRLPEDQAVINRYGFNSHGLSVVEHRLRARQQKQAQLTADGLPLGINLGKNKTSEDAAADYAEGVRTLGPLADYLVVNVSSPNTAGLRSLQGKTELRHLLSKVLQERDALKGTRKPAVLVKIAPDLTAQDKEDIASVARELGIDGLIVTNTTVSRPVGLQGALRSETGGLSGKPLRDLSTQTIREMYALTQGRIPIIGVGGVSSGQDALEKIQAGASLVQLYTALIFLGPPVVVRVKRELEALLKERGFTTVTDAIGADHRR
Inhibitor
Name:
BDBM50054543
Synonyms:
(Z)-2-Cyano-3-hydroxy-4-methyl-penta-2,4-dienoic acid (4-trifluoromethyl-phenyl)-amide | 2-cyano-3-hydroxy-4-methyl-N-(4-(trifluoromethyl)phenyl)penta-2,4-dienamide | CHEMBL141086
Type:
Small organic molecule
Emp. Form.:
C14H11F3N2O2
Mol. Mass.:
296.2445
SMILES:
CC(=C)C(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F