Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM16104
Substrate
BDBM16100
Meas. Tech.
DHODH Inhibition Assay
pH
8±n/a
Temperature
295.15±n/a K
Ki
4000±1000 nM
Km
6600±700 nM
kcat
15.4±0.2 1/sec
Comments
Mixed inhibition.
Citation
 Hurt, DE; Sutton, AE; Clardy, J Brequinar derivatives and species-specific drug design for dihydroorotate dehydrogenase. Bioorg Med Chem Lett 16:1610-5 (2006) [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:
BDBM16104
Synonyms:
3-[3-(4-tert-butylphenyl)phenyl]-5-carbamoylbenzoic acid | 4 -tert-butyl-5-carbamoyl-1,1 :3 ,1 -terphenyl-3-carboxylic acid | AMX01 | Brequinar-derived asymmetric terphenyl compound
Type:
Small organic molecule
Emp. Form.:
C24H23NO3
Mol. Mass.:
373.4443
SMILES:
CC(C)(C)c1ccc(cc1)-c1cccc(c1)-c1cc(cc(c1)C(O)=O)C(N)=O
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM16100
Synonyms:
2,3-dimethoxy-5-methyl-6-(3-methyl-2-butenyl)-1,4-benzoquinone | 2,3-dimethoxy-5-methyl-6-(3-methylbut-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione | Coenzyme Q1 | Ubiquinone 5
Type:
Small organic molecule
Emp. Form.:
C14H18O4
Mol. Mass.:
250.2903
SMILES:
[#6]-[#8]-[#6]-1=[#6](-[#8]-[#6])-[#6](=O)-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])=[#6](-[#6])-[#6]-1=O |c:2,t:13|
Structure:
Search PDB for entries with ligand similarity: