Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetDihydroorotate Dehydrogenase (DHODH)
LigandBDBM50054587
Substrate/Competitorn/a
Meas. Tech.ChEMBL_52874
IC50 53±n/a nM
Citation Kuo EAHambleton PTKay DPEvans PLMatharu SSLittle EMcDowall NJones CBHedgecock CJYea CMChan AWHairsine PWAger IRTully WRWilliamson RAWestwood 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 Chem 39:4608-21 (1996) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Dihydroorotate Dehydrogenase (DHODH)
Name:Dihydroorotate Dehydrogenase (DHODH)
Synonyms:DHOdehase | Dihydroorotate dehydrogenase, mitochondrial precursor | Dihydroorotate oxidase
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50054587
n/a
NameBDBM50054587
Synonyms:(Z)-2-Cyano-N-(4-cyano-phenyl)-3-cyclopropyl-3-hydroxy-acrylamide | Alpha-cyano-beta-hydroxy enamide, 6 | CHEMBL141195
TypeSmall organic molecule
Emp. Form.C14H11N3O2
Mol. Mass.253.256
SMILESO=C(Nc1ccc(cc1)C#N)C(C#N)C(=O)C1CC1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: