Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM50018011
Substrate
n/a
Meas. Tech.
ChEMBL_1366444 (CHEMBL3296344)
IC50
150±n/a nM
Citation
 Deng, X; Kokkonda, S; El Mazouni, F; White, J; Burrows, JN; Kaminsky, W; Charman, SA; Matthews, D; Rathod, PK; Phillips, MA Fluorine modulates species selectivity in the triazolopyrimidine class of Plasmodium falciparum dihydroorotate dehydrogenase inhibitors. J Med Chem 57:5381-94 (2014) [PubMed]  Article 
Target
Name:
Dihydroorotate dehydrogenase (quinone), mitochondrial
Synonyms:
Dhodh | Dihydroorotate dehydrogenase | PYRD_MOUSE
Type:
PROTEIN
Mol. Mass.:
42711.08
Organism:
Mus musculus
Description:
ChEMBL_1366444
Residue:
395
Sequence:
MAWRQLRKRALDAAIILGGGGLLFTSYLTATGDDHFYAEYLMPALQRLLDPESAHRLAVRVISLGLLPRATFQDSNMLEVRVLGHKFRNPVGIAAGFDKHGEAVDGLYKLGFGFVEVGSVTPQPQEGNPRPRVFRLPEDQAVINRYGFNSHGLSAVEHRLRARQQKQTQLTTDGLPLGINLGKNKTSVDAAADYVEGVRILGPLADYLVVNVSSPNTAGLRSLQGKTELRRLLSKVLQERDALKGPQKPAVLVKIAPDLTAQDKEDIASVARELGIDGLIITNTTVSRPVGLQGALRSETGGLSGKPLRDLSTQTIREMYALTQGTIPIIGVGGVSSGQDALEKIQAGASLVQLYTALTFLGPPVVARVKRELEALLKERGFNTVTDAIGVDHRR
  
Inhibitor
Name:
BDBM50018011
Synonyms:
Aubagio | CHEBI:68540 | HMR-1726 | TERIFLUNOMIDE
Type:
Small organic molecule
Emp. Form.:
C12H9F3N2O2
Mol. Mass.:
270.2073
SMILES:
C\C(O)=C(/C#N)C(=O)Nc1ccc(cc1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: