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Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM50313603
Substrate
n/a
Meas. Tech.
ChEMBL_614225 (CHEMBL1106928)
IC50
100±n/a nM
Citation
 McLean, LR; Zhang, Y; Degnen, W; Peppard, J; Cabel, D; Zou, C; Tsay, JT; Subramaniam, A; Vaz, RJ; Li, Y Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures. Bioorg Med Chem Lett 20:1981-4 (2010) [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:
BDBM50313603
Synonyms:
2-(cyclopropanecarboxamido)-5-(methyl(pyridin-3-ylmethyl)amino)benzoic acid | 2-[(cyclopropylcarbonyl)amino]-5-[methyl(pyridin-3-ylmethyl)amino]benzoic acid | CHEMBL1084928
Type:
Small organic molecule
Emp. Form.:
C18H19N3O3
Mol. Mass.:
325.3618
SMILES:
CN(Cc1cccnc1)c1ccc(NC(=O)C2CC2)c(c1)C(O)=O
Structure:
Search PDB for entries with ligand similarity: