Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM530456
Substrate
n/a
Meas. Tech.
DHODH enzymatic assay
IC50
19±n/a nM
Citation
 Lindsey, D; Scott, K; Zhuming, Z DIHYDROOROTATE DEHYDROGENASE INHIBITORS WIPO 0:0 (2022) [PubMed] 
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:
BDBM530456
Synonyms:
6-(1-Ethyl-5-(1-hydroxyethyl)-1H-1,2,4-triazol-3-yl)-7-fluoro-4-isopropyl-2-(o- tolyl)isoquinolin-1(2H)-one. | WO2022070068, Example 28
Type:
Small organic molecule
Emp. Form.:
C25H27FN4O2
Mol. Mass.:
434.5059
SMILES:
CCn1nc(nc1C(C)O)-c1cc2c(cn(-c3ccccc3C)c(=O)c2cc1F)C(C)C
Structure:
Search PDB for entries with ligand similarity: