Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial [30-395]
Ligand
BDBM28817
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
More Info.:
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:
BDBM28817
Synonyms:
5-methyl-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | DSM74 | triazolopyrimidine-based compound, DSM74
Type:
Small organic molecule
Emp. Form.:
C13H10F3N5
Mol. Mass.:
293.2472
SMILES:
Cc1cc(Nc2ccc(cc2)C(F)(F)F)n2ncnc2n1