Target
Dihydroorotate dehydrogenase (quinone), mitochondrial [30-395]
Ligand
BDBM16114
Substrate
BDBM16110
Meas. Tech.
DHODH Inhibition Assay
pH
8±n/a
Temperature
298.15±n/a K
IC50
44±n/a nM
Citation
 Leban, JKralik, MMies, JBaumgartner, RGassen, MTasler, S Biphenyl-4-ylcarbamoyl thiophene carboxylic acids as potent DHODH inhibitors. Bioorg Med Chem Lett 16:267-70 (2006) [PubMed]  Article 
Target
Name:
Dihydroorotate dehydrogenase (quinone), mitochondrial [30-395]
Synonyms:
DHODH | DHOdehase | Dihydroorotate Dehydrogenase (DHODH) | Dihydroorotate dehydrogenase, mitochondrial | Dihydroorotate oxidase | PYRD_HUMAN
Type:
Enzyme
Mol. Mass.:
39678.95
Organism:
Homo sapiens (Human)
Description:
Recombinant human DHODH (amino acids 30 to 395) was cloned and expressed in E. coli.
Residue:
366
Sequence:
ATGDERFYAEHLMPTLQGLLDPESAHRLAVRFTSLGLLPRARFQDSDMLEVRVLGHKFRNPVGIAAGFDKHGEAVDGLYKMGFGFVEIGSVTPKPQEGNPRPRVFRLPEDQAVINRYGFNSHGLSVVEHRLRARQQKQAKLTEDGLPLGVNLGKNKTSVDAAEDYAEGVRVLGPLADYLVVNVSSPNTAGLRSLQGKAELRRLLTKVLQERDGLRRVHRPAVLVKIAPDLTSQDKEDIASVVKELGIDGLIVTNTTVSRPAGLQGALRSETGGLSGKPLRDLSTQTIREMYALTQGRVPIIGVGGVSSGQDALEKIRAGASLVQLYTALTFWGPPVVGKVKRELEALLKEQGFGGVTDAIGADHRR
  
Inhibitor
Name:
BDBM16114
Synonyms:
3-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}thiophene-2-carboxylic acid | Biphenyl-4-ylcarbamoyl Thiophene Analog 5 | Compound 6
Type:
Small organic molecule
Emp. Form.:
C19H14FNO4S
Mol. Mass.:
371.382
SMILES:
COc1cccc(c1)-c1ccc(NC(=O)c2ccsc2C(O)=O)c(F)c1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM16110
Synonyms:
2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione | 2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-5,6-dimethoxy-3-methyl-cyclohexa-2,5-diene-1,4-dione | Coenzyme Q6 | Ubiquinone 6
Type:
n/a
Emp. Form.:
C39H58O4
Mol. Mass.:
590.8754
SMILES:
[#6]-[#8]-[#6]-1=[#6](-[#8]-[#6])-[#6](=O)-[#6](-[#6]-[#6]=[#6](-[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])=[#6](-[#6])-[#6]-1=O |w:10.9,c:2,t:38|
Structure:
Search PDB for entries with ligand similarity: