Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM530454
Substrate
n/a
Meas. Tech.
DHODH enzymatic assay
IC50
1.20±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:
BDBM530454
Synonyms:
7-Fluoro-6-(5-(2-hydroxypropan-2-yl)-1-methyl-1H-1,2,4-triazol-3-yl)-4-isopropyl- 2-(2-methoxy-5-methylpyridin-4-yl)isoquinolin-1(2H)-one. | WO2022070068, Example 26
Type:
Small organic molecule
Emp. Form.:
C25H28FN5O3
Mol. Mass.:
465.5199
SMILES:
COc1cc(c(C)cn1)-n1cc(C(C)C)c2cc(-c3nc(n(C)n3)C(C)(C)O)c(F)cc2c1=O
Structure:
Search PDB for entries with ligand similarity: