| Reaction Details |
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 | Report a problem with these data |
| Target | Glucose-6-phosphate 1-dehydrogenase |
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| Ligand | BDBM50396520 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_862643 (CHEMBL2174116) |
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| IC50 | >80000±n/a nM |
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| 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 Chem55:7262-72 (2012) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Glucose-6-phosphate 1-dehydrogenase |
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| Name: | Glucose-6-phosphate 1-dehydrogenase |
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| Synonyms: | G6PD | G6PD_HUMAN | Glucose 6-phosphate dehydrogenase (G6PD) | Glucose-6-phosphate 1-dehydrogenase | glucose-6-phosphate 1-dehydrogenase isoform b |
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| Type: | Enzyme |
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| Mol. Mass.: | 59258.58 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P11413 |
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| Residue: | 515 |
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| Sequence: | MAEQVALSRTQVCGILREELFQGDAFHQSDTHIFIIMGASGDLAKKKIYPTIWWLFRDGL
LPENTFIVGYARSRLTVADIRKQSEPFFKATPEEKLKLEDFFARNSYVAGQYDDAASYQR
LNSHMNALHLGSQANRLFYLALPPTVYEAVTKNIHESCMSQIGWNRIIVEKPFGRDLQSS
DRLSNHISSLFREDQIYRIDHYLGKEMVQNLMVLRFANRIFGPIWNRDNIACVILTFKEP
FGTEGRGGYFDEFGIIRDVMQNHLLQMLCLVAMEKPASTNSDDVRDEKVKVLKCISEVQA
NNVVLGQYVGNPDGEGEATKGYLDDPTVPRGSTTATFAAVVLYVENERWDGVPFILRCGK
ALNERKAEVRLQFHDVAGDIFHQQCKRNELVIRVQPNEAVYTKMMTKKPGMFFNPEESEL
DLTYGNRYKNVKLPDAYERLILDVFCGSQMHFVRSDELREAWRIFTPLLHQIELEKPKPI
PYIYGSRGPTEADELMKRVGFQYEGTYKWVNPHKL
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| BDBM50396520 |
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| n/a |
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| Name | BDBM50396520 |
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| Synonyms: | CHEMBL2170937 |
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| Type | Small organic molecule |
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| Emp. Form. | C23H23F2N3O2S |
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| Mol. Mass. | 443.509 |
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| SMILES | CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3cccc(F)c3F)C(=O)Nc2c1 |
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| Structure | 
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