Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM50054562
Substrate
n/a
Meas. Tech.
ChEMBL_52873 (CHEMBL666232)
IC50
1780±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 
Target
Name:
Dihydroorotate dehydrogenase (quinone), mitochondrial
Synonyms:
Dhodh | Dihydroorotate dehydrogenase | PYRD_MOUSE
Type:
PROTEIN
Mol. Mass.:
42711.08
Organism:
Mus musculus
Description:
ChEMBL_1366444
Residue:
395
Sequence:
MAWRQLRKRALDAAIILGGGGLLFTSYLTATGDDHFYAEYLMPALQRLLDPESAHRLAVRVISLGLLPRATFQDSNMLEVRVLGHKFRNPVGIAAGFDKHGEAVDGLYKLGFGFVEVGSVTPQPQEGNPRPRVFRLPEDQAVINRYGFNSHGLSAVEHRLRARQQKQTQLTTDGLPLGINLGKNKTSVDAAADYVEGVRILGPLADYLVVNVSSPNTAGLRSLQGKTELRRLLSKVLQERDALKGPQKPAVLVKIAPDLTAQDKEDIASVARELGIDGLIITNTTVSRPVGLQGALRSETGGLSGKPLRDLSTQTIREMYALTQGTIPIIGVGGVSSGQDALEKIQAGASLVQLYTALTFLGPPVVARVKRELEALLKERGFNTVTDAIGVDHRR
  
Inhibitor
Name:
BDBM50054562
Synonyms:
(Z)-N-(6-Chloro-pyridin-3-yl)-2-cyano-3-cyclopropyl-3-hydroxy-acrylamide | CHEMBL142705
Type:
Small organic molecule
Emp. Form.:
C12H10ClN3O2
Mol. Mass.:
263.68
SMILES:
Clc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cn1
Structure:
Search PDB for entries with ligand similarity: