Reaction Details  Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM50586385
Substrate
n/a
Meas. Tech.
hDHODH inhibition assay
IC50
2.30±0.33 nM
Citation
 Boschi, D; Giorgis, M; Lolli, ML; Martinelli, G; Saglio, G PYRAZOLO DERIVATIVES AS HUMAN DIHYDROOROTATE DEHYDROGENASE (HDHODH) INHIBITORS FOR USE AS ANTIVIRALS US Patent  US20240034730 Publication Date 2/1/2024
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:
BDBM50586385
Synonyms:
CHEMBL5090431 | US20240034730, Compound 15
Type:
Small organic molecule
Emp. Form.:
C21H10F7N3O3
Mol. Mass.:
485.3112
SMILES:
Oc1nn2ccccc2c1C(=O)Nc1c(F)c(F)c(-c2cccc(OC(F)(F)F)c2)c(F)c1F
Structure:
Search PDB for entries with ligand similarity: