Target
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase
Ligand
BDBM81073
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
3440±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:
BDBM81073
Synonyms:
1,2-dihydroacenaphthylen-5-yl-[1-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperidin-3-yl]methanone | 1,2-dihydroacenaphthylen-5-yl-[1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-3-piperidinyl]methanone | 1,2-dihydroacenaphthylen-5-yl-[1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperidin-3-yl]methanone | 1,2-dihydroacenaphthylen-5-yl[1-(4-hydroxy-3,5-dimethoxybenzyl)piperidin-3-yl]methanone | MLS000862689 | SMR000319589 | acenaphthen-5-yl-[1-(4-hydroxy-3,5-dimethoxy-benzyl)-3-piperidyl]methanone | cid_16187927
Type:
Small organic molecule
Emp. Form.:
C27H29NO4
Mol. Mass.:
431.5235
SMILES:
COc1cc(CN2CCCC(C2)C(=O)c2ccc3CCc4cccc2c34)cc(OC)c1O
Structure:
Search PDB for entries with ligand similarity: