Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM50054601
Substrate
n/a
Meas. Tech.
ChEMBL_715587 (CHEMBL1663403)
IC50
1600±n/a nM
Citation
Giorgis, M; Lolli, ML; Rolando, B; Rao, A; Tosco, P; Chaurasia, S; Marabello, D; Fruttero, R; Gasco, A 1,2,5-Oxadiazole analogues of leflunomide and related compounds. Eur J Med Chem 46:383-92 (2010) [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:
BDBM50054601
Synonyms:
5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide | 5-Methylisoxazole-4-carboxylic acid (4-trifluoromethyl)anilide | 5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide | Arava (TN) | CHEMBL960 | LEFLUNOMIDE | alpha,alpha,alpha-Trifluoro-5-methyl-4-isoxazolecarboxy-p-toluidide
Type:
Small organic molecule
Emp. Form.:
C12H9F3N2O2
Mol. Mass.:
270.2073
SMILES:
Cc1oncc1C(=O)Nc1ccc(cc1)C(F)(F)F