Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM490549
Substrate
n/a
Meas. Tech.
Enzymatic Assay
IC50
5.00±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
More Info.:
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:
BDBM490549
Synonyms:
5-fluoro-N-(2-fluoro-6-methylphenyl)-4-(3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)-2-[(2S)-pentan-2-yloxy]benzamide | US10968216, Example 217
Type:
Small organic molecule
Emp. Form.:
C25H24F2N4O3
Mol. Mass.:
466.4799
SMILES:
CCC[C@H](C)Oc1cc(c(F)cc1C(=O)Nc1c(C)cccc1F)-n1nc2ccccn2c1=O |r|