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TargetDihydroorotate dehydrogenase (quinone), mitochondrial
LigandBDBM14712
Substrate/Competitorn/a
Meas. Tech.ChEMBL_792219 (CHEMBL1930746)
IC50 26±n/a nM
Citation Erra, MMoreno, ISanahuja, JAndrés, MReinoso, RFLozoya, EPizcueta, PGodessart, NCastro-Palomino, JC Biaryl analogues of teriflunomide as potent DHODH inhibitors. Bioorg Med Chem Lett21:7268-72 (2011) [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
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  Blast E-value cutoff:
BDBM14712
n/a
NameBDBM14712
Synonyms:(2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide | A77 1726 | CHEMBL973 | CHEMBL999 | TERIFLUNOMIDE
TypeSmall organic molecule
Emp. Form.C12H9F3N2O2
Mol. Mass.270.2073
SMILESCC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: