Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM470565
Substrate
n/a
Meas. Tech.
Enzymatic Assay
IC50
2.00±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 
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:
BDBM470565
Synonyms:
1-(4-[(2-chloro-6-fluorophenyl)carbamoyl]-2-fluoro-5-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}phenyl)-5-oxo-4-(prop-2-en-1-yl)-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid | US10815215, Example 225 | US11130745, Example 225 | US11713304, Example 225
Type:
Small organic molecule
Emp. Form.:
C22H16ClF5N4O5
Mol. Mass.:
546.831
SMILES:
C[C@H](Oc1cc(c(F)cc1C(=O)Nc1c(F)cccc1Cl)-n1nc(C(O)=O)n(CC=C)c1=O)C(F)(F)F |r|
Structure:
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