Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial [30-395]
Ligand
BDBM28840
Substrate
BDBM14700
Meas. Tech.
DHODH Inhibition Assay
IC50
>100000±n/a nM
Citation
 Gujjar, R; Marwaha, A; El Mazouni, F; White, J; White, KL; Creason, S; Shackleford, DM; Baldwin, J; Charman, WN; Buckner, FS; Charman, S; Rathod, PK; Phillips, MA Identification of a metabolically stable triazolopyrimidine-based dihydroorotate dehydrogenase inhibitor with antimalarial activity in mice. J Med Chem 52:1864-72 (2009) [PubMed]  Article 
Target
Name:
Dihydroorotate dehydrogenase (quinone), mitochondrial [30-395]
Synonyms:
DHODH | DHOdehase | Dihydroorotate Dehydrogenase (DHODH) | Dihydroorotate dehydrogenase, mitochondrial | Dihydroorotate oxidase | PYRD_HUMAN
Type:
Enzyme
Mol. Mass.:
39678.95
Organism:
Homo sapiens (Human)
Description:
Recombinant human DHODH (amino acids 30 to 395) was cloned and expressed in E. coli.
Residue:
366
Sequence:
ATGDERFYAEHLMPTLQGLLDPESAHRLAVRFTSLGLLPRARFQDSDMLEVRVLGHKFRNPVGIAAGFDKHGEAVDGLYKMGFGFVEIGSVTPKPQEGNPRPRVFRLPEDQAVINRYGFNSHGLSVVEHRLRARQQKQAKLTEDGLPLGVNLGKNKTSVDAAEDYAEGVRVLGPLADYLVVNVSSPNTAGLRSLQGKAELRRLLTKVLQERDGLRRVHRPAVLVKIAPDLTSQDKEDIASVVKELGIDGLIVTNTTVSRPAGLQGALRSETGGLSGKPLRDLSTQTIREMYALTQGRVPIIGVGGVSSGQDALEKIRAGASLVQLYTALTFWGPPVVGKVKRELEALLKEQGFGGVTDAIGADHRR
  
Inhibitor
Name:
BDBM28840
Synonyms:
N-(3,4-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | triazolopyrimidine-based compound, DSM123
Type:
Small organic molecule
Emp. Form.:
C14H15N5
Mol. Mass.:
253.3024
SMILES:
Cc1cc(Nc2ccc(C)c(C)c2)n2ncnc2n1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM14700
Synonyms:
2,3-dimethoxy-5-methyl-6-decyl-1,4-benzoquinone | 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione | Decylubiquinone
Type:
Ubiquinone analog
Emp. Form.:
C19H30O4
Mol. Mass.:
322.4391
SMILES:
CCCCCCCCC=Cc1c(C)c(O)c(OC)c(OC)c1O |w:9.9|
Structure:
Search PDB for entries with ligand similarity: