Reaction Details |
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Target | Glucose-6-phosphate 1-dehydrogenase |
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Ligand | BDBM70014 |
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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 |
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: | MAEQVALSRTQVCGILREELFQGDAFHQSDTHIFIIMGASGDLAKKKIYPTIWWLFRDGL
LPENTFIVGYARSRLTVADIRKQSEPFFKATPEEKLKLEDFFARNSYVAGQYDDAASYQR
LNSHMNALHLGSQANRLFYLALPPTVYEAVTKNIHESCMSQIGWNRIIVEKPFGRDLQSS
DRLSNHISSLFREDQIYRIDHYLGKEMVQNLMVLRFANRIFGPIWNRDNIACVILTFKEP
FGTEGRGGYFDEFGIIRDVMQNHLLQMLCLVAMEKPASTNSDDVRDEKVKVLKCISEVQA
NNVVLGQYVGNPDGEGEATKGYLDDPTVPRGSTTATFAAVVLYVENERWDGVPFILRCGK
ALNERKAEVRLQFHDVAGDIFHQQCKRNELVIRVQPNEAVYTKMMTKKPGMFFNPEESEL
DLTYGNRYKNVKLPDAYERLILDVFCGSQMHFVRSDELREAWRIFTPLLHQIELEKPKPI
PYIYGSRGPTEADELMKRVGFQYEGTYKWVNPHKL
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BDBM70014 |
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n/a |
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Name | BDBM70014 |
Synonyms: | (2Z)-2-benzal-3-keto-N-(3-pyrrolidinopropyl)-4H-1,4-benzothiazine-6-carboxamide | (2Z)-2-benzylidene-3-oxo-N-(3-pyrrolidin-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide | (2Z)-3-oxidanylidene-2-(phenylmethylidene)-N-(3-pyrrolidin-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide | (2Z)-3-oxo-2-(phenylmethylene)-N-[3-(1-pyrrolidinyl)propyl]-4H-1,4-benzothiazine-6-carboxamide | MLS001030711 | SMR000635244 | cid_24792850 |
Type | Small organic molecule |
Emp. Form. | C23H25N3O2S |
Mol. Mass. | 407.529 |
SMILES | O=C(NCCCN1CCCC1)c1ccc2S\C(=C/c3ccccc3)C(=O)Nc2c1 |
Structure |
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