Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM24400
Substrate
BDBM15346
Meas. Tech.
DHODH Inhibition Assay
pH
8±n/a
Temperature
293.15±n/a K
IC50
47±22 nM
Citation
 Phillips, MA; Gujjar, R; Malmquist, NA; White, J; El Mazouni, F; Baldwin, J; Rathod, PK Triazolopyrimidine-based dihydroorotate dehydrogenase inhibitors with potent and selective activity against the malaria parasite Plasmodium falciparum. J Med Chem 51:3649-53 (2008) [PubMed]  Article 
Target
Name:
Dihydroorotate dehydrogenase (quinone), mitochondrial
Synonyms:
DHOdehase | Dihydroorotate Dehydrogenase (DHODH) | Dihydroorotate dehydrogenase homolog | Dihydroorotate oxidase | PYRD_PLAF7
Type:
Enzyme
Mol. Mass.:
65581.88
Organism:
Plasmodium falciparum (isolate 3D7)
Description:
Q08210
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:
Substrate
Name:
BDBM15346
Synonyms:
2,3-dimethoxy-5-methyl-cyclohexa-2,5-diene-1,4-dione | 2,3-dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione | Ubiquinone-0 (CoQ0)
Type:
Small organic molecule
Emp. Form.:
C9H10O4
Mol. Mass.:
182.1733
SMILES:
COC1=C(OC)C(=O)C(C)=CC1=O |c:2,9|
Structure:
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