Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM470339
Substrate
n/a
Meas. Tech.
Enzymatic Assay
IC50
9.00±n/a nM
Citation
Gradl, SN; Nguyen, D; Eis, K; Günther, J; Stellfeld, T; Janzer, A; Christian, S; Müller, T; Sheikh, SE; Zhou, HJ; Zhao, C; Sykes, DB; Ferrara, SJ; Liu, K; 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 US10815215 Publication Date 10/27/2020
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:
BDBM470339
Synonyms:
5-fluoro-4-[3-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-(2-methylphenyl)-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}benzamide | US10815215, Example 1 | US11130745, Example 1 | US11713304, Example 1
Type:
Small organic molecule
Emp. Form.:
C23H24F4N4O3
Mol. Mass.:
480.4553
SMILES:
CC(C)n1c(C)nn(-c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2ccccc2C)c1=O |r|