Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM29026
Substrate
BDBM14700
Meas. Tech.
DHODH Inhibition Assay
Ki
7±n/a nM
IC50
53±n/a nM
Citation
 Davies, M; Heikkilä, T; McConkey, GA; Fishwick, CW; Parsons, MR; Johnson, AP Structure-based design, synthesis, and characterization of inhibitors of human and Plasmodium falciparum dihydroorotate dehydrogenases. J Med Chem 52:2683-93 (2009) [PubMed]  Article 
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:
BDBM29026
Synonyms:
CHEMBL142996 | cyanocyclopropylpropenamide, 11
Type:
Small organic molecule
Emp. Form.:
C19H16N2O2
Mol. Mass.:
304.3425
SMILES:
O=C(Nc1ccc(cc1)-c1ccccc1)C(C#N)C(=O)C1CC1
Structure:
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Substrate
Name:
BDBM14700
Synonyms:
2,3-dimethoxy-5-methyl-6-decyl-1,4-benzoquinone | 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione | Decylubiquinone
Type:
Ubiquinone analog
Emp. Form.:
C19H30O4
Mol. Mass.:
322.4391
SMILES:
CCCCCCCCC=Cc1c(C)c(O)c(OC)c(OC)c1O |w:9.9|
Structure:
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