Reaction Details Report a problem with these data
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM16301
Substrate
BDBM14700
Meas. Tech.
Enzyme Inhibition Assay
pH
8±n/a
Temperature
303.15±n/a K
IC50
698±64 nM
Citation
 Hansen, M; Le Nours, J; Johansson, E; Antal, T; Ullrich, A; Loffler, M; Larsen, S Inhibitor binding in a class 2 dihydroorotate dehydrogenase causes variations in the membrane-associated N-terminal domain. Protein Sci 13:1031-42 (2004) [PubMed]  Article 
Target
Name:
Dihydroorotate dehydrogenase (quinone), mitochondrial
Synonyms:
DHOdehase | Dhodh | Dihydroorotate Dehydrogenase (DHODH) | Dihydroorotate dehydrogenase, mitochondrial precursor | Dihydroorotate oxidase | PYRD_RAT
Type:
Enzyme
Mol. Mass.:
42672.97
Organism:
Rattus norvegicus (rat)
Description:
The enzyme assay was performed with the histidine-tagged enzyme without cleavage of the tag.
Residue:
395
Sequence:
MAWRQLRKRALDAVIILGGGGLLFTSYLTATGDDHFYAEYLMPGLQRLLDPESAHRLAVRVTSLGLLPRATFQDSDMLEVKVLGHKFRNPVGIAAGFDKNGEAVDGLYKLGFGFVEVGSVTPQPQEGNPRPRVFRLPEDQAVINRYGFNSHGLSVVEHRLRARQQKQAQLTADGLPLGINLGKNKTSEDAAADYAEGVRTLGPLADYLVVNVSSPNTAGLRSLQGKTELRHLLSKVLQERDALKGTRKPAVLVKIAPDLTAQDKEDIASVARELGIDGLIVTNTTVSRPVGLQGALRSETGGLSGKPLRDLSTQTIREMYALTQGRIPIIGVGGVSSGQDALEKIQAGASLVQLYTALIFLGPPVVVRVKRELEALLKERGFTTVTDAIGADHRR
  
Inhibitor
Name:
BDBM16301
Synonyms:
3-[4-(4-chlorophenyl)cyclohexyl]naphthalene-1,2,4-triol | Atovaquone | Mepron
Type:
Small organic molecule
Emp. Form.:
C22H19ClO3
Mol. Mass.:
366.837
SMILES:
Clc1ccc(cc1)C1CCC(CC1)C1C(=O)C(=O)c2ccccc2C1=O |(22.89,-15.28,;24.23,-14.51,;25.56,-15.28,;26.9,-14.51,;26.9,-12.97,;25.56,-12.2,;24.23,-12.97,;28.23,-12.2,;29.56,-12.97,;30.9,-12.2,;30.9,-10.66,;29.56,-9.89,;28.23,-10.66,;32.23,-9.89,;32.23,-8.35,;30.9,-7.58,;33.56,-7.58,;33.56,-6.04,;34.9,-8.35,;36.27,-7.53,;37.67,-8.32,;37.67,-9.92,;36.27,-10.71,;34.9,-9.89,;33.56,-10.66,;33.56,-12.2,)|
Structure:
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Substrate
Name:
BDBM14700
Synonyms:
2,3-dimethoxy-5-methyl-6-decyl-1,4-benzoquinone | 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione | Decylubiquinone
Type:
Ubiquinone analog
Emp. Form.:
C19H30O4
Mol. Mass.:
322.4391
SMILES:
CCCCCCCCC=Cc1c(C)c(O)c(OC)c(OC)c1O |w:9.9|
Structure:
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