Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM530468
Substrate
n/a
Meas. Tech.
DHODH enzymatic assay
IC50
4.07±n/a nM
Citation
 Lindsey, D; Scott, K DIHYDROOROTATE DEHYDROGENASE INHIBITORS WIPO 0:0 (2022) [PubMed] 
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:
BDBM530468
Synonyms:
7-Fluoro-8-(2-(2-hydroxypropan-2-yl)-1-methyl-1H-imidazol-4-yl)-1-isopropyl-3- (3-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)-4H-quinolizin-4-one. | WO2022070071, Example 6
Type:
Small organic molecule
Emp. Form.:
C24H25F4N5O2
Mol. Mass.:
491.4812
SMILES:
CC(C)c1cc(-c2c(C)n[nH]c2C(F)(F)F)c(=O)n2cc(F)c(cc12)-c1cn(C)c(n1)C(C)(C)O |(-3.5,2.52,;-2.17,1.75,;-.83,2.52,;-2.17,.21,;-3.5,-.56,;-3.5,-2.1,;-4.83,-2.87,;-6.24,-2.25,;-6.56,-.74,;-7.27,-3.39,;-6.5,-4.73,;-5,-4.4,;-3.85,-5.44,;-4.17,-6.94,;-2.39,-4.96,;-2.71,-6.47,;-2.17,-2.87,;-2.17,-4.41,;-.83,-2.1,;.5,-2.87,;1.83,-2.1,;3.17,-2.87,;1.83,-.56,;.5,.21,;-.83,-.56,;3.17,.21,;4.58,-.42,;5.61,.72,;7.14,.56,;4.84,2.06,;3.33,1.74,;5.46,3.47,;6.99,3.63,;6.37,2.22,;4.56,4.71,)|
Structure:
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