Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM14712
Substrate
n/a
Meas. Tech.
ChEMBL_874712 (CHEMBL2187568)
IC50
11390±n/a nM
Citation
 Diao, Y; Lu, W; Jin, H; Zhu, J; Han, L; Xu, M; Gao, R; Shen, X; Zhao, Z; Liu, X; Xu, Y; Huang, J; Li, H Discovery of diverse human dihydroorotate dehydrogenase inhibitors as immunosuppressive agents by structure-based virtual screening. J Med Chem 55:8341-9 (2012) [PubMed]  Article 
Target
Name:
Dihydroorotate dehydrogenase (quinone), mitochondrial
Synonyms:
DHOdehase | Dihydroorotate Dehydrogenase (DHODH) | Dihydroorotate dehydrogenase homolog | Dihydroorotate oxidase
Type:
Enzyme
Mol. Mass.:
65581.88
Organism:
Plasmodium falciparum
Description:
His6-tag DHODH was expressed in E. coli.
Residue:
569
Sequence:
MISKLKPQFMFLPKKHILSYCRKDVLNLFEQKFYYTSKRKESNNMKNESLLRLINYNRYYNKIDSNNYYNGGKILSNDRQYIYSPLCEYKKKINDISSYVSVPFKINIRNLGTSNFVNNKKDVLDNDYIYENIKKEKSKHKKIIFLLFVSLFGLYGFFESYNPEFFLYDIFLKFCLKYIDGEICHDLFLLLGKYNILPYDTSNDSIYACTNIKHLDFINPFGVAAGFDKNGVCIDSILKLGFSFIEIGTITPRGQTGNAKPRIFRDVESRSIINSCGFNNMGCDKVTENLILFRKRQEEDKLLSKHIVGVSIGKNKDTVNIVDDLKYCINKIGRYADYIAINVSSPNTPGLRDNQEAGKLKNIILSVKEEIDNLEKNNIMNDESTYNEDNKIVEKKNNFNKNNSHMMKDAKDNFLWFNTTKKKPLVFVKLAPDLNQEQKKEIADVLLETNIDGMIISNTTTQINDIKSFENKKGGVSGAKLKDISTKFICEMYNYTNKQIPIIASGGIFSGLDALEKIEAGASVCQLYSCLVFNGMKSAVQIKRELNHLLYQRGYYNLKEAIGRKHSKS
  
Inhibitor
Name:
BDBM14712
Synonyms:
(2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide | A77 1726 | CHEMBL973 | CHEMBL999 | TERIFLUNOMIDE
Type:
Small organic molecule
Emp. Form.:
C12H9F3N2O2
Mol. Mass.:
270.2073
SMILES:
CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: