Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM50071392
Substrate
n/a
Meas. Tech.
ChEBML_52886
IC50
800±n/a nM
Citation
 Albert, R; Knecht, H; Andersen, E; Hungerford, V; Schreier, MH; Papageorgiou, C Isoxazolylthioamides as potential immunosuppressants a combinatorial chemistry approach. Bioorg Med Chem Lett 8:2203-8 (1999) [PubMed]  Article 
Target
Name:
Dihydroorotate dehydrogenase (quinone), mitochondrial
Synonyms:
DHODH | DHOdehase | Dihydroorotate dehydrogenase | Dihydroorotate dehydrogenase (DHODH) | Dihydroorotate dehydrogenase, mitochondrial | Dihydroorotate oxidase | Dihydroorotate oxidase (DHODH) | PYRD_HUMAN
Type:
Enzyme
Mol. Mass.:
42881.33
Organism:
Homo sapiens (Human)
Description:
Q02127
Residue:
395
Sequence:
MAWRHLKKRAQDAVIILGGGGLLFASYLMATGDERFYAEHLMPTLQGLLDPESAHRLAVRFTSLGLLPRARFQDSDMLEVRVLGHKFRNPVGIAAGFDKHGEAVDGLYKMGFGFVEIGSVTPKPQEGNPRPRVFRLPEDQAVINRYGFNSHGLSVVEHRLRARQQKQAKLTEDGLPLGVNLGKNKTSVDAAEDYAEGVRVLGPLADYLVVNVSSPNTAGLRSLQGKAELRRLLTKVLQERDGLRRVHRPAVLVKIAPDLTSQDKEDIASVVKELGIDGLIVTNTTVSRPAGLQGALRSETGGLSGKPLRDLSTQTIREMYALTQGRVPIIGVGGVSSGQDALEKIRAGASLVQLYTALTFWGPPVVGKVKRELEALLKEQGFGGVTDAIGADHRR
  
Inhibitor
Name:
BDBM50071392
Synonyms:
(E)-2-Cyano-3-hydroxy-but-2-enethioic acid (4-trifluoromethyl-phenyl)-amide | CHEMBL70544
Type:
Small organic molecule
Emp. Form.:
C12H9F3N2OS
Mol. Mass.:
286.273
SMILES:
CC(=O)C(C#N)C(=S)Nc1ccc(cc1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: