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TargetDihydroorotate dehydrogenase
LigandBDBM29034
Substrate/CompetitorBDBM14700
Meas. Tech.DHODH Inhibition Assay
Ki 2.7±n/a nM
IC50 22±n/a nM
Citation Davies, MHeikkilä, TMcConkey, GAFishwick, CWParsons, MRJohnson, AP Structure-based design, synthesis, and characterization of inhibitors of human and Plasmodium falciparum dihydroorotate dehydrogenases. J Med Chem52:2683-93 (2009) [PubMed]  Article
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Dihydroorotate dehydrogenase
Name:Dihydroorotate dehydrogenase
Synonyms:DHOdehase | Dihydroorotate dehydrogenase (DHODH) | Dihydroorotate dehydrogenase, mitochondrial | Dihydroorotate oxidase | Dihydroorotate oxidase (DHODH)
Type:Enzyme
Mol. Mass.:42881.33
Organism:Homo sapiens (Human)
Description:Q02127
Residue:395
Sequence:
MAWRHLKKRAQDAVIILGGGGLLFASYLMATGDERFYAEHLMPTLQGLLDPESAHRLAVR
FTSLGLLPRARFQDSDMLEVRVLGHKFRNPVGIAAGFDKHGEAVDGLYKMGFGFVEIGSV
TPKPQEGNPRPRVFRLPEDQAVINRYGFNSHGLSVVEHRLRARQQKQAKLTEDGLPLGVN
LGKNKTSVDAAEDYAEGVRVLGPLADYLVVNVSSPNTAGLRSLQGKAELRRLLTKVLQER
DGLRRVHRPAVLVKIAPDLTSQDKEDIASVVKELGIDGLIVTNTTVSRPAGLQGALRSET
GGLSGKPLRDLSTQTIREMYALTQGRVPIIGVGGVSSGQDALEKIRAGASLVQLYTALTF
WGPPVVGKVKRELEALLKEQGFGGVTDAIGADHRR
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BDBM29034
NameBDBM29034
Synonyms:cyanohydroxybutenamide, 24
TypeSmall organic molecule
Emp. Form.C17H12Cl2N2O2
Mol. Mass.347.195
SMILESCC(=O)C(C#N)C(=O)Nc1ccc(c(Cl)c1)-c1ccccc1Cl
Structure
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BDBM14700
NameBDBM14700
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
TypeUbiquinone analog
Emp. Form.C19H30O4
Mol. Mass.322.4391
SMILESCCCCCCCCC=Cc1c(C)c(O)c(OC)c(OC)c1O |w:9.9|
Structure
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