Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM470474
Substrate
n/a
Meas. Tech.
Enzymatic Assay 1
IC50
4.50±n/a nM
Citation
 Gradl, SN; Nguyen, D; Eis, K; Günther, J; Stellfeld, T; Janzer, A; Christian, S; Müller, T; Sheikh, SE; Sykes, DB; Ferrara, SJ; Kröber, M; Merz, C; Niehues, M; Schäfer, M; Zimmermann, K; Nising, CF 2,4,5-trisubstituted 1,2,4-triazolones useful as inhibitors of DHODH US Patent  US11130745 Publication Date 9/28/2021 
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:
BDBM470474
Synonyms:
N-(2-chloro-6-fluorophenyl)-5-fluoro-4-[3-(2-hydroxypropan-2-yl)-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-2-[(2S)-pentan-2-yloxy]benzamide | US10815215, Example 137 | US11130745, Example 137 | US11713304, Example 137
Type:
Small organic molecule
Emp. Form.:
C24H27ClF2N4O4
Mol. Mass.:
508.945
SMILES:
CCC[C@H](C)Oc1cc(c(F)cc1C(=O)Nc1c(F)cccc1Cl)-n1nc(n(C)c1=O)C(C)(C)O |r|
Structure:
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