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Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM16112
Substrate
n/a
Meas. Tech.
ChEBML_52888
IC50
8±n/a nM
Citation
 Leban, J; Saeb, W; Garcia, G; Baumgartner, R; Kramer, B Discovery of a novel series of DHODH inhibitors by a docking procedure and QSAR refinement. Bioorg Med Chem Lett 14:55-8 (2003) [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:
BDBM16112
Synonyms:
2-{[2,3,5,6-tetrafluoro-4-(2-methoxyphenyl)phenyl]carbamoyl}cyclopent-1-ene-1-carboxylic acid | Biphenyl-4-ylcarbamoyl Cyclopentene Analog 3 | CHEMBL345701
Type:
Small organic molecule
Emp. Form.:
C20H15F4NO4
Mol. Mass.:
409.331
SMILES:
COc1ccccc1-c1c(F)c(F)c(NC(=O)C2=C(CCC2)C(O)=O)c(F)c1F |t:18,(1.02,8.12,;-.07,7.03,;.7,5.69,;2.24,5.69,;3.01,4.36,;2.24,3.03,;.7,3.03,;-.07,4.36,;-1.61,4.36,;-2.38,5.69,;-1.61,7.03,;-3.92,5.69,;-4.69,7.03,;-4.69,4.36,;-6.23,4.36,;-7,3.03,;-6.23,1.69,;-8.54,3.03,;-9.21,4.41,;-10.73,4.21,;-11.01,2.69,;-9.65,1.96,;-8.48,5.77,;-9.29,7.08,;-6.94,5.82,;-3.92,3.03,;-4.69,1.69,;-2.38,3.03,;-1.61,1.69,)|
Structure:
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