Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM520644
Substrate
n/a
Meas. Tech.
Measurement of DHODH Inhibitory Enzyme Activity (In Vitro Assays)
IC50
>1000±n/a nM
Citation
 Nellore, K; Hosahalli, S Methods of use for trisubstituted benzotriazole derivatives as dihydroorotate oxygenase inhibitors US Patent  US11147801 Publication Date 10/19/2021 
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:
BDBM520644
Synonyms:
1-methyl-5-(2,3,5,6-tetrafluoro-3'-((4-methylpiperazin-1-yl)methyl)-[1,1'- biphenyl]-4-yl)-1H-benzo[d][1,2,3]triazole-7-carboxylic acid; | US11147801, Compound 35
Type:
Small organic molecule
Emp. Form.:
C26H23F4N5O2
Mol. Mass.:
513.4867
SMILES:
CN1CCN(Cc2cccc(c2)-c2c(F)c(F)c(c(F)c2F)-c2cc(C(O)=O)c3n(C)nnc3c2)CC1
Structure:
Search PDB for entries with ligand similarity: