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Target
Glucose-6-phosphate 1-dehydrogenase
Ligand
BDBM50396520
Substrate
n/a
Meas. Tech.
ChEMBL_862643 (CHEMBL2174116)
IC50
>80000±n/a nM
Citation
 Preuss, J; Maloney, P; Peddibhotla, S; Hedrick, MP; Hershberger, P; Gosalia, P; Milewski, M; Li, YL; Sugarman, E; Hood, B; Suyama, E; Nguyen, K; Vasile, S; Sergienko, E; Mangravita-Novo, A; Vicchiarelli, M; McAnally, D; Smith, LH; Roth, GP; Diwan, J; Chung, TD; Jortzik, E; Rahlfs, S; Becker, K; Pinkerton, AB; Bode, 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 Chem 55:7262-72 (2012) [PubMed]  Article 
Target
Name:
Glucose-6-phosphate 1-dehydrogenase
Synonyms:
G6PD | G6PD_HUMAN | Glucose 6-phosphate dehydrogenase (G6PD) | 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:
MAEQVALSRTQVCGILREELFQGDAFHQSDTHIFIIMGASGDLAKKKIYPTIWWLFRDGLLPENTFIVGYARSRLTVADIRKQSEPFFKATPEEKLKLEDFFARNSYVAGQYDDAASYQRLNSHMNALHLGSQANRLFYLALPPTVYEAVTKNIHESCMSQIGWNRIIVEKPFGRDLQSSDRLSNHISSLFREDQIYRIDHYLGKEMVQNLMVLRFANRIFGPIWNRDNIACVILTFKEPFGTEGRGGYFDEFGIIRDVMQNHLLQMLCLVAMEKPASTNSDDVRDEKVKVLKCISEVQANNVVLGQYVGNPDGEGEATKGYLDDPTVPRGSTTATFAAVVLYVENERWDGVPFILRCGKALNERKAEVRLQFHDVAGDIFHQQCKRNELVIRVQPNEAVYTKMMTKKPGMFFNPEESELDLTYGNRYKNVKLPDAYERLILDVFCGSQMHFVRSDELREAWRIFTPLLHQIELEKPKPIPYIYGSRGPTEADELMKRVGFQYEGTYKWVNPHKL
  
Inhibitor
Name:
BDBM50396520
Synonyms:
CHEMBL2170937
Type:
Small organic molecule
Emp. Form.:
C23H23F2N3O2S
Mol. Mass.:
443.509
SMILES:
CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3cccc(F)c3F)C(=O)Nc2c1
Structure:
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