Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial [30-395]
Ligand
BDBM16117
Substrate
BDBM16110
Meas. Tech.
DHODH Inhibition Assay
pH
8±n/a
Temperature
298.15±n/a K
IC50
1±n/a nM
Citation
 Leban, J; Kralik, M; Mies, J; Baumgartner, R; Gassen, M; Tasler, 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:
BDBM16117
Synonyms:
3-{[2,3,5,6-tetrafluoro-4-(2-methoxyphenyl)phenyl]carbamoyl}thiophene-2-carboxylic acid | Biphenyl-4-ylcarbamoyl Thiophene Analog 8
Type:
Small organic molecule
Emp. Form.:
C19H11F4NO4S
Mol. Mass.:
425.354
SMILES:
COc1ccccc1-c1c(F)c(F)c(NC(=O)c2ccsc2C(O)=O)c(F)c1F |(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,;-9.65,1.96,;-11.01,2.69,;-10.73,4.21,;-9.21,4.41,;-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:
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:
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