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Reaction Details
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TargetDihydroorotate dehydrogenase
LigandBDBM16114
Substrate/CompetitorBDBM14700
Meas. Tech.DHODH Inhibition Assay
pH8±n/a
Temperature303.15±n/a K
IC50 44±n/a nM
Citation Baumgartner RWalloschek MKralik MGotschlich ATasler SMies JLeban J Dual binding mode of a novel series of DHODH inhibitors. J Med Chem 49:1239-47 (2006) [PubMed]
More Info.:Get all data from this article,  Inhibition_Run data,   Solution Info,  Assay Method
 
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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  Blast E-value cutoff:
BDBM16114
BDBM14700
NameBDBM16114
Synonyms:3-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}thiophene-2-carboxylic acid | Biphenyl-4-ylcarbamoyl Thiophene Analog 5 | Compound 6
TypeSmall organic molecule
Emp. Form.C19H14FNO4S
Mol. Mass.371.382
SMILESCOc1cccc(c1)-c1ccc(NC(=O)c2ccsc2C(O)=O)c(F)c1
Structure
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