Reaction Details
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Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase
Ligand
BDBM81032
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
3660±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] More Info.:
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:
BDBM81032
Synonyms:
2-[[(E)-[3-methyl-4-oxo-1-(2-pyridinyl)-6,7-dihydroindazol-5-ylidene]methyl]amino]benzoic acid methyl ester | 2-[[(E)-[4-keto-3-methyl-1-(2-pyridyl)-6,7-dihydroindazol-5-ylidene]methyl]amino]benzoic acid methyl ester | MLS000537069 | SMR000161443 | cid_8219193 | methyl 2-({[3-methyl-4-oxo-1-(2-pyridinyl)-1,4,6,7-tetrahydro-5H-indazol-5-ylidene]methyl}amino)benzoate | methyl 2-[[(E)-(3-methyl-4-oxidanylidene-1-pyridin-2-yl-6,7-dihydroindazol-5-ylidene)methyl]amino]benzoate | methyl 2-[[(E)-(3-methyl-4-oxo-1-pyridin-2-yl-6,7-dihydroindazol-5-ylidene)methyl]amino]benzoate
Type:
Small organic molecule
Emp. Form.:
C22H20N4O3
Mol. Mass.:
388.4192
SMILES:
COC(=O)c1ccccc1NC=C1CCc2c(c(C)nn2-c2ccccn2)C1=O |w:11.11|
Structure:
