Reaction Details Report a problem with these data
Target
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase
Ligand
BDBM55776
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
1850±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:
BDBM55776
Synonyms:
2-(3-keto-4,6-dimethyl-isothiazolo[5,4-b]pyridin-2-yl)-N-p-phenetyl-acetamide | 2-(4,6-dimethyl-3-oxidanylidene-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(4-ethoxyphenyl)ethanamide | 2-(4,6-dimethyl-3-oxo-2-isothiazolo[5,4-b]pyridinyl)-N-(4-ethoxyphenyl)acetamide | 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(4-ethoxyphenyl)acetamide | 2-(4,6-dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)-N-(4-ethoxyphenyl)acetamide | MLS000689388 | SMR000311187 | cid_4247321
Type:
Small organic molecule
Emp. Form.:
C18H19N3O3S
Mol. Mass.:
357.427
SMILES:
CCOc1ccc(NC(=O)Cn2sc3nc(C)cc(C)c3c2=O)cc1
Structure:
Search PDB for entries with ligand similarity: