Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM501667
Substrate
n/a
Meas. Tech.
Inhibitory Enzyme Activity (In Vitro Assay)
IC50
5.5±n/a nM
Citation
 Thunuguntla, SS; Hosahalli, S; Panigrahi, SK; Schwarz, M; Arit, M 1, 4, 6-trisubstituted-2-alkyl-1H-benzo[d]imidazole derivatives as dihydroorotate oxygenase inhibitors US Patent  US11028054 Publication Date 6/8/2021 
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:
BDBM501667
Synonyms:
US11028054, Example 67
Type:
Small organic molecule
Emp. Form.:
C21H15F4N3O2
Mol. Mass.:
417.3563
SMILES:
Cc1nc2c(cc(cc2[nH]1)-c1c(F)c(F)c(c(F)c1F)-n1c(C)ccc1C)C(O)=O |(7.17,1.28,;5.63,1.28,;4.73,2.53,;3.26,2.05,;1.93,2.82,;.6,2.05,;.6,.51,;1.93,-.26,;3.26,.51,;4.73,.04,;-.74,-.26,;-.74,-1.8,;.6,-2.57,;-2.07,-2.57,;-2.07,-4.11,;-3.4,-1.8,;-3.4,-.26,;-4.74,.51,;-2.07,.51,;-2.07,2.05,;-4.74,-2.57,;-6.14,-1.94,;-6.46,-.44,;-7.17,-3.09,;-6.4,-4.42,;-4.9,-4.1,;-3.75,-5.13,;1.93,4.36,;.6,5.13,;3.26,5.13,)|
Structure:
Search PDB for entries with ligand similarity: