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Target
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase
Ligand
BDBM81083
Substrate
n/a
Meas. Tech.
Dose Response orthogonal kinetic assay utilizing the direct detection of NADPH for uHTS small molecule inhibitors of Plasmodium falciparum Glucose-6-phosphate dehydrogenase
IC50
9300±n/a nM
Citation
 PubChem, PC Dose Response orthogonal kinetic assay utilizing the direct detection of NADPH for uHTS small molecule inhibitors of Plasmodium falciparum Glucose-6-phosphate dehydrogenase PubChem Bioassay (2011)[AID] 
Target
Name:
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase
Synonyms:
n/a
Type:
Enzyme Catalytic Domain
Mol. Mass.:
109731.64
Organism:
Plasmodium falciparum 3D7
Description:
gi_12381848
Residue:
950
Sequence:
MEYETSLKCLDEIRCVNNVKYMETEDLTDFNKKSAYYICKEIYEKQLSNENGYVVIGLSGGKTPIDVYKNMCAIKDIKIDKNKLIFFIIDERYKNDDHKFSNYNNIKFLFDELNINKETQLYKPDTKKDLVSCIRDYNEQIKSMIEKYKKIDIVILGMGSDFHIASLFPNVYYNIYMNNYQNNYIYEDNETIRSLNADNNVNLSLLNEQVYFTTTNNFDVRKRITVSLNLLSNSTSKIFLLNTADKLNLWKNMLLNFYVNPNYNLYPAFKMIDSSNTTVIACGHKNYSKMLEDLYVQKDEALSPISNNNVENKNELLTIVIFGCSGDLAKKKIYPALFKLFCNNLLPKNIIIIGFARTGQDFESFFNKIAIYLKISLNSYKNLSVFEKAERLNSFKSKCRYFIGNYLSPESFENFDVYITQEERIALGCCGQKGNEKHKQVNVTSQFPNNHTSINIINNIDNGCESPMLTDSPKRYPCSSSYSSTSGTAVCPYSSQHDVKPSNNGCPYLSSQANTSDSSGCPYISYHTNKSGHLGCPYTITRMLYLALPPHVFVSTLQNYKKYCLNKNRINKILLEKPFGKDLESFKILSKQILETFPEKNIYRIDHYLGKDMVSGLLKLKFTNIFLLSLMNRHFIKCIKITLKETKGVYGRGQYFDPYGIIRDVMQNHMLQLLALITMEHPTDLNDKSIQNEKIKILKSIASIKLEDTVIGQYVKSNNDDTNNNINSNISENASIDKSKINHSYHDDPHVDPNSITPTFCACVLYINSINWHGVPIILKAGKGLNNDICEIKIQFHNIMGSSDESMYNNEFVIILQPVEGIYLKLMIKKMGSEEMEEVQLNLSLNENNNKAYVPEAYETLLSECYKGYKRKFISDEELYESWRIFTPLLNELQEKHIKPLSYPFGSSGPQEAYDLVRKYYNYGKNYATTAKFCRKSSYYDDSLFDNMRE
  
Inhibitor
Name:
BDBM81083
Synonyms:
(6E)-4-ethyl-3-hydroxy-6-[5-methyl-4-(1-methyl-2-benzimidazolyl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone | (6E)-4-ethyl-3-hydroxy-6-[5-methyl-4-(1-methylbenzimidazol-2-yl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one | (6E)-4-ethyl-3-hydroxy-6-[5-methyl-4-(1-methylbenzimidazol-2-yl)-3-pyrazolin-3-ylidene]cyclohexa-2,4-dien-1-one | (6E)-4-ethyl-6-[5-methyl-4-(1-methylbenzimidazol-2-yl)-1,2-dihydropyrazol-3-ylidene]-3-oxidanyl-cyclohexa-2,4-dien-1-one | MLS000713762 | SMR000273243 | cid_5761591
Type:
Small organic molecule
Emp. Form.:
C20H20N4O2
Mol. Mass.:
348.3984
SMILES:
CCc1cc(-c2n[nH]c(C)c2-c2nc3ccccc3n2C)c(O)cc1O |(13.16,-3.85,;11.66,-4.17,;10.63,-3.02,;11.1,-1.56,;10.07,-.41,;10.55,1.05,;12.01,1.53,;12.01,3.07,;10.55,3.54,;10.07,5.01,;9.64,2.3,;8.1,2.3,;7.2,1.06,;5.75,1.53,;4.41,.76,;3.08,1.53,;3.08,3.07,;4.41,3.84,;5.75,3.07,;7.2,3.54,;7.68,5,;8.57,-.73,;7.1,-.26,;8.09,-2.2,;9.12,-3.34,;8.65,-4.81,)|
Structure:
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