Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM470516
Substrate
n/a
Meas. Tech.
Enzymatic Assay
IC50
3.90±n/a nM
Citation
 Gradl, SNNguyen, DEis, KGünther, JStellfeld, TJanzer, AChristian, SMüller, TSheikh, SEZhou, HJZhao, CSykes, DBFerrara, SJLiu, KKröber, MMerz, CNiehues, MSchäfer, MZimmermann, KNising, CF 2,4,5-trisubstituted 1,2,4-triazolones useful as inhibitors of DHODH US Patent  US10815215 Publication Date 10/27/2020 
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:
BDBM470516
Synonyms:
N-(2-chloro-6-fluorophenyl)-4-[3-(2-hydroxypropan-2-yl)-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}benzamide | US10815215, Example 176 | US11130745, Example 176 | US11713304, Example 176
Type:
Small organic molecule
Emp. Form.:
C22H21ClF4N4O4
Mol. Mass.:
516.873
SMILES:
C[C@H](Oc1cc(ccc1C(=O)Nc1c(F)cccc1Cl)-n1nc(n(C)c1=O)C(C)(C)O)C(F)(F)F |r|
Structure:
Search PDB for entries with ligand similarity: