Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetDihydroorotate dehydrogenase (quinone), mitochondrial
LigandBDBM50054541
Substrate/Competitorn/a
Meas. Tech.ChEMBL_52874 (CHEMBL666233)
IC50 11±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 (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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50054541
n/a
NameBDBM50054541
Synonyms:(Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(3-methyl-4-pentafluoroethyl-phenyl)-acrylamide | CHEMBL139937
TypeSmall organic molecule
Emp. Form.C16H13F5N2O2
Mol. Mass.360.2786
SMILESCc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1C(F)(F)C(F)(F)F
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: