Reaction Details |
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Target | Dihydroorotate dehydrogenase (quinone), mitochondrial |
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Ligand | BDBM50054541 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_52874 (CHEMBL666233) |
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IC50 | 11±n/a nM |
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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 |
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More Info.: | Get all data from this article, Assay Method |
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Dihydroorotate dehydrogenase (quinone), mitochondrial |
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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
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BDBM50054541 |
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n/a |
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Name | BDBM50054541 |
Synonyms: | (Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(3-methyl-4-pentafluoroethyl-phenyl)-acrylamide | CHEMBL139937 |
Type | Small organic molecule |
Emp. Form. | C16H13F5N2O2 |
Mol. Mass. | 360.2786 |
SMILES | Cc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1C(F)(F)C(F)(F)F |
Structure |
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