Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM155440
Substrate
n/a
Meas. Tech.
Enzyme Assay
pH
8±n/a
IC50
5.6±n/a nM
Comments
extracted
Citation
 Thunuguntla, SS; Subramanya, H; Kunnam, SR; Sanivaru Vijay, SR; Bingi, C; Kusanur, R; Schwarz, M; Arlt, M Dihydroorotate dehydrogenase inhibitors US Patent  US9006454 Publication Date 4/14/2015 
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:
BDBM155440
Synonyms:
US9006454, I82
Type:
Small organic molecule
Emp. Form.:
C21H15F4N3O2
Mol. Mass.:
417.3563
SMILES:
Cc1ccc(C)n1-c1c(F)c(F)c(-c2nc3cc(C)cc(C(O)=O)c3[nH]2)c(F)c1F |(5.22,-3.17,;5.99,-1.84,;7.45,-1.36,;7.45,.18,;5.99,.65,;5.22,1.99,;5.08,-.59,;3.54,-.59,;2.77,.74,;3.54,2.08,;1.23,.74,;.46,2.08,;.46,-.59,;-1.08,-.59,;-1.98,-1.84,;-3.45,-1.36,;-4.78,-2.13,;-6.12,-1.36,;-7.45,-2.13,;-6.12,.18,;-4.78,.95,;-4.78,2.49,;-3.45,3.26,;-6.12,3.26,;-3.45,.18,;-1.98,.65,;1.23,-1.93,;.46,-3.26,;2.77,-1.93,;3.54,-3.26,)|
Structure:
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