Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM520631
Substrate
n/a
Meas. Tech.
Measurement of DHODH Inhibitory Enzyme Activity (In Vitro Assays)
IC50
550±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:
BDBM520631
Synonyms:
1-methyl-5-(2,3,5,6-tetrafluoro-3'-((isopropylamino)methyl)-[1,1'-biphenyl]-4- yl)-1H-benzo[d][1,2,3]triazole-7-carboxylic acid; | US11147801, Compound 36
Type:
Small organic molecule
Emp. Form.:
C24H20F4N4O2
Mol. Mass.:
472.4348
SMILES:
CC(C)NCc1cccc(c1)-c1c(F)c(F)c(c(F)c1F)-c1cc(C(O)=O)c2n(C)nnc2c1
Structure:
Search PDB for entries with ligand similarity: