Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM24400
Substrate
n/a
Meas. Tech.
ChEMBL_984625 (CHEMBL2434280)
IC50
31±n/a nM
Citation
 Xu, M; Zhu, J; Diao, Y; Zhou, H; Ren, X; Sun, D; Huang, J; Han, D; Zhao, Z; Zhu, L; Xu, Y; Li, H Novel selective and potent inhibitors of malaria parasite dihydroorotate dehydrogenase: discovery and optimization of dihydrothiophenone derivatives. J Med Chem 56:7911-24 (2013) [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:
BDBM24400
Synonyms:
5-methyl-N-(naphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | JMC521864 Compund DSM1 | Triazolopyrimidine-Based Compound, 7
Type:
Small organic molecule
Emp. Form.:
C16H13N5
Mol. Mass.:
275.3079
SMILES:
Cc1cc(Nc2ccc3ccccc3c2)n2ncnc2n1
Structure:
Search PDB for entries with ligand similarity: