Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM14702
Substrate
BDBM14700
Meas. Tech.
DHODH Inhibition Assay
Ki
15100±n/a nM
IC50
123300±n/a nM
Citation
 Heikkila, T; Ramsey, C; Davies, M; Galtier, C; Stead, AM; Johnson, AP; Fishwick, CW; Boa, AN; McConkey, GA Design and synthesis of potent inhibitors of the malaria parasite dihydroorotate dehydrogenase. J Med Chem 50:186-91 (2007) [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:
BDBM14702
Synonyms:
1,3-diethyl 2-[(1H-indazol-5-ylamino)methylidene]propanedioate | 2-[(1H-Indazol-5-ylamino)-methylene]-malonic acid diethyl ester | bicyclic compound 7
Type:
Small organic molecule
Emp. Form.:
C15H17N3O4
Mol. Mass.:
303.3132
SMILES:
CCOC(=O)C(C=Nc1ccc2n[nH]cc2c1)C(=O)OCC |w:7.7|
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:
Search PDB for entries with ligand similarity: