Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM490518
Substrate
n/a
Meas. Tech.
Enzymatic Assay
IC50
5.30±n/a nM
Citation
 Gradl, SN; Nguyen, D; Eis, K; Günther, J; Stellfeld, T; Janzer, A; Christian, S; Mueller, T; Sheikh, SE; Zhou, HJ; Zhao, C; Sykes, DB; Ferrara, SJ; Liu, K; Herbert, SA; Merz, C; Niehues, M; Nising, CF; Schäfer, M; Zimmermann, K; Knäblein, J; Thede, K; Faupel, T 4,5-annulated 1,2,4-triazolones US Patent  US10968216 Publication Date 4/6/2021 
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:
BDBM490518
Synonyms:
N-(2,6-dichlorophenyl)-5-fluoro-4-(3-oxo-5,6-dihydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2(8H)-yl)-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}benzamide | US10968216, Example 186
Type:
Small organic molecule
Emp. Form.:
C21H16Cl2F4N4O4
Mol. Mass.:
535.276
SMILES:
C[C@H](Oc1cc(c(F)cc1C(=O)Nc1c(Cl)cccc1Cl)-n1nc2COCCn2c1=O)C(F)(F)F |r|
Structure:
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