Reaction Details Report a problem with these data
Target
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase
Ligand
BDBM81109
Substrate
n/a
Meas. Tech.
Dose Response confirmation of uHTS small molecule inhibitors of Plasmodium falciparum Glucose-6-phosphate dehydrogenase via a fluorescence intensity assay
IC50
1650±n/a nM
Citation
 PubChem, PC Dose Response confirmation of uHTS small molecule inhibitors of Plasmodium falciparum Glucose-6-phosphate dehydrogenase via a fluorescence intensity assay 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:
BDBM81109
Synonyms:
8-(2-cyclohexylidenehydrazinyl)-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-purine-2,6-dione | 8-(2-cyclohexylidenehydrazinyl)-7-[2-(4-methoxyphenyl)ethyl]-3-methylpurine-2,6-dione | 8-(N'-Cyclohexylidene-hydrazino)-7-[2-(4-methoxy-phenyl)-ethyl]-3-methyl-3,7-dihydro-purine-2,6-dione | 8-(N'-cyclohexylidenehydrazino)-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-xanthine | MLS000762903 | SMR000439670 | cid_3266651
Type:
Small organic molecule
Emp. Form.:
C21H26N6O3
Mol. Mass.:
410.4695
SMILES:
COc1ccc(CCn2c(NN=C3CCCCC3)nc3n(C)c(=O)[nH]c(=O)c23)cc1 |(13.94,6.14,;12.44,5.82,;11.96,4.36,;10.45,4.04,;9.97,2.57,;11,1.43,;10.52,-.04,;9.02,-.35,;8.54,-1.82,;9.44,-3.06,;10.98,-3.06,;11.75,-4.39,;13.29,-4.39,;14.06,-3.06,;15.6,-3.06,;16.37,-4.39,;15.6,-5.72,;14.06,-5.72,;8.54,-4.3,;7.08,-3.83,;5.75,-4.6,;5.75,-6.14,;4.41,-3.83,;3.08,-4.6,;4.41,-2.29,;5.75,-1.52,;5.75,.02,;7.08,-2.29,;12.51,1.75,;12.99,3.21,)|
Structure:
Search PDB for entries with ligand similarity: