Reaction Details  Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM50345415
Substrate
n/a
Meas. Tech.
ChEMBL_751788 (CHEMBL1785543)
IC50
>50000±n/a nM
Citation
 Gujjar, R; El Mazouni, F; White, KL; White, J; Creason, S; Shackleford, DM; Deng, X; Charman, WN; Bathurst, I; Burrows, J; Floyd, DM; Matthews, D; Buckner, FS; Charman, SA; Phillips, MA; Rathod, PK Lead optimization of aryl and aralkyl amine-based triazolopyrimidine inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase with antimalarial activity in mice. J Med Chem 54:3935-49 (2011) [PubMed]  Article
Target
Name:
Dihydroorotate dehydrogenase (quinone), mitochondrial
Synonyms:
DHODH | DHOdehase | Dihydroorotate dehydrogenase | Dihydroorotate dehydrogenase (DHODH) | Dihydroorotate dehydrogenase, mitochondrial | Dihydroorotate oxidase | Dihydroorotate oxidase (DHODH) | PYRD_HUMAN
Type:
Enzyme
Mol. Mass.:
42881.33
Organism:
Homo sapiens (Human)
Description:
Q02127
Residue:
395
Sequence:
MAWRHLKKRAQDAVIILGGGGLLFASYLMATGDERFYAEHLMPTLQGLLDPESAHRLAVRFTSLGLLPRARFQDSDMLEVRVLGHKFRNPVGIAAGFDKHGEAVDGLYKMGFGFVEIGSVTPKPQEGNPRPRVFRLPEDQAVINRYGFNSHGLSVVEHRLRARQQKQAKLTEDGLPLGVNLGKNKTSVDAAEDYAEGVRVLGPLADYLVVNVSSPNTAGLRSLQGKAELRRLLTKVLQERDGLRRVHRPAVLVKIAPDLTSQDKEDIASVVKELGIDGLIVTNTTVSRPAGLQGALRSETGGLSGKPLRDLSTQTIREMYALTQGRVPIIGVGGVSSGQDALEKIRAGASLVQLYTALTFWGPPVVGKVKRELEALLKEQGFGGVTDAIGADHRR
  
Inhibitor
Name:
BDBM50345415
Synonyms:
5-Methyl-N-(4-(trifuoromethylthio)phenyl)-[1,2,4]triazolo[1,5-a]-pyrimidin-7-amine | CHEMBL1784566 | US9238653, Table 5, Compound 25
Type:
Small organic molecule
Emp. Form.:
C13H10F3N5S
Mol. Mass.:
325.312
SMILES:
Cc1cc(Nc2ccc(SC(F)(F)F)cc2)n2ncnc2n1
Structure:
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