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TargetDihydroorotate Dehydrogenase (DHODH)
LigandBDBM50054552
Substrate/Competitorn/a
Meas. Tech.ChEMBL_52874
IC50 13±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 Chem39:4608-21 (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:
BDBM50054552
NameBDBM50054552
Synonyms:(Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-methylsulfanyl-phenyl)-acrylamide | CHEMBL143816
TypeSmall organic molecule
Emp. Form.C14H14N2O2S
Mol. Mass.274.338
SMILESCSc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a