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Target
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase
Ligand
BDBM81053
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
24300±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:
BDBM81053
Synonyms:
2-[2,6-dimethyl-4-[(Z)-[3-(phenylmethyl)-1,3-benzothiazol-2-ylidene]methyl]-1-pyridin-1-iumyl]-1-butanol;bromide | 2-[2,6-dimethyl-4-[(Z)-[3-(phenylmethyl)-1,3-benzothiazol-2-ylidene]methyl]pyridin-1-ium-1-yl]butan-1-ol;bromide | 2-[4-[(Z)-(3-benzyl-1,3-benzothiazol-2-ylidene)methyl]-2,6-dimethyl-pyridin-1-ium-1-yl]butan-1-ol;bromide | 2-[4-[(Z)-(3-benzyl-1,3-benzothiazol-2-ylidene)methyl]-2,6-dimethylpyridin-1-ium-1-yl]butan-1-ol;bromide | MLS000392277 | SMR000261255 | cid_12006270
Type:
Small organic molecule
Emp. Form.:
C26H29N2OS
Mol. Mass.:
417.586
SMILES:
CCC(CO)[n+]1c(C)cc(\C=C2/Sc3ccccc3N2Cc2ccccc2)cc1C
Structure:
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