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TargetGlucose 6-phosphate dehydrogenase (G6PD)
LigandBDBM50396525
Substrate/Competitorn/a
Meas. Tech.ChEMBL_862643
IC50>80000±n/a nM
Citation Preuss, JMaloney, PPeddibhotla, SHedrick, MPHershberger, PGosalia, PMilewski, MLi, YLSugarman, EHood, BSuyama, ENguyen, KVasile, SSergienko, EMangravita-Novo, AVicchiarelli, MMcAnally, DSmith, LHRoth, GPDiwan, JChung, TDJortzik, ERahlfs, SBecker, KPinkerton, ABBode, L Discovery of a Plasmodium falciparum glucose-6-phosphate dehydrogenase 6-phosphogluconolactonase inhibitor (R,Z)-N-((1-ethylpyrrolidin-2-yl)methyl)-2-(2-fluorobenzylidene)-3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxamide (ML276) that reduces parasite growth in vitro. J Med Chem55:7262-72 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Glucose 6-phosphate dehydrogenase (G6PD)
Name:Glucose 6-phosphate dehydrogenase (G6PD)
Synonyms:Glucose-6-phosphate 1-dehydrogenase | glucose-6-phosphate 1-dehydrogenase isoform b
Type:Enzyme
Mol. Mass.:59258.58
Organism:Homo sapiens (Human)
Description:P11413
Residue:515
Sequence:
MAEQVALSRTQVCGILREELFQGDAFHQSDTHIFIIMGASGDLAKKKIYPTIWWLFRDGL
LPENTFIVGYARSRLTVADIRKQSEPFFKATPEEKLKLEDFFARNSYVAGQYDDAASYQR
LNSHMNALHLGSQANRLFYLALPPTVYEAVTKNIHESCMSQIGWNRIIVEKPFGRDLQSS
DRLSNHISSLFREDQIYRIDHYLGKEMVQNLMVLRFANRIFGPIWNRDNIACVILTFKEP
FGTEGRGGYFDEFGIIRDVMQNHLLQMLCLVAMEKPASTNSDDVRDEKVKVLKCISEVQA
NNVVLGQYVGNPDGEGEATKGYLDDPTVPRGSTTATFAAVVLYVENERWDGVPFILRCGK
ALNERKAEVRLQFHDVAGDIFHQQCKRNELVIRVQPNEAVYTKMMTKKPGMFFNPEESEL
DLTYGNRYKNVKLPDAYERLILDVFCGSQMHFVRSDELREAWRIFTPLLHQIELEKPKPI
PYIYGSRGPTEADELMKRVGFQYEGTYKWVNPHKL
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BDBM50396525
NameBDBM50396525
Synonyms:CHEMBL2170932
TypeSmall organic molecule
Emp. Form.C23H25N3O2S
Mol. Mass.407.529
SMILESCCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccccc3)C(=O)Nc2c1
Structure
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