| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Dihydroorotate dehydrogenase (quinone), mitochondrial |
|---|
| Ligand | BDBM50054587 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_52874 (CHEMBL666233) |
|---|
| IC50 | 53±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 Chem39:4608-21 (1996) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Dihydroorotate dehydrogenase (quinone), mitochondrial |
|---|
| 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: | MAWRQLRKRALDAVIILGGGGLLFTSYLTATGDDHFYAEYLMPGLQRLLDPESAHRLAVR
VTSLGLLPRATFQDSDMLEVKVLGHKFRNPVGIAAGFDKNGEAVDGLYKLGFGFVEVGSV
TPQPQEGNPRPRVFRLPEDQAVINRYGFNSHGLSVVEHRLRARQQKQAQLTADGLPLGIN
LGKNKTSEDAAADYAEGVRTLGPLADYLVVNVSSPNTAGLRSLQGKTELRHLLSKVLQER
DALKGTRKPAVLVKIAPDLTAQDKEDIASVARELGIDGLIVTNTTVSRPVGLQGALRSET
GGLSGKPLRDLSTQTIREMYALTQGRIPIIGVGGVSSGQDALEKIQAGASLVQLYTALIF
LGPPVVVRVKRELEALLKERGFTTVTDAIGADHRR
|
|
|
|---|
| BDBM50054587 |
|---|
| n/a |
|---|
| Name | BDBM50054587 |
|---|
| Synonyms: | (Z)-2-Cyano-N-(4-cyano-phenyl)-3-cyclopropyl-3-hydroxy-acrylamide | Alpha-cyano-beta-hydroxy enamide, 6 | CHEMBL141195 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C14H11N3O2 |
|---|
| Mol. Mass. | 253.256 |
|---|
| SMILES | O=C(Nc1ccc(cc1)C#N)C(C#N)C(=O)C1CC1 |
|---|
| Structure | 
|
|---|
Search and Browse
