Reaction Details | |||
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Target | Glutamate racemase | ||
Ligand | BDBM50261965 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_514356 (CHEMBL967970) | ||
IC50 | 16±n/a nM | ||
Citation | Basarab, GS; Hill, PJ; Rastagar, A; Webborn, PJ Design of Helicobacter pylori glutamate racemase inhibitors as selective antibacterial agents: a novel pro-drug approach to increase exposure. Bioorg Med Chem Lett18:4716-22 (2008) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Glutamate racemase | |||
Name: | Glutamate racemase | ||
Synonyms: | MURI_HELPY | glr | murI | ||
Type: | PROTEIN | ||
Mol. Mass.: | 28413.39 | ||
Organism: | Helicobacter pylori | ||
Description: | ChEMBL_475324 | ||
Residue: | 255 | ||
Sequence: |
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BDBM50261965 | |||
n/a | |||
Name | BDBM50261965 | ||
Synonyms: | 5-(2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropylmethyl)-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl)-1-methyl-1H-pyrrole-3-sulfonamide | CHEMBL511387 | ||
Type | Small organic molecule | ||
Emp. Form. | C25H24ClN7O4S | ||
Mol. Mass. | 554.021 | ||
SMILES | Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(N)(=O)=O |(20.38,-43.46,;21.92,-43.46,;22.82,-42.22,;24.28,-42.69,;24.28,-44.23,;22.82,-44.71,;22.35,-46.17,;23.26,-47.43,;24.8,-47.43,;25.57,-48.76,;24.8,-50.09,;25.57,-51.42,;27.11,-51.43,;27.88,-50.08,;29.41,-50.07,;30.17,-48.74,;29.39,-47.41,;30.15,-46.07,;27.86,-47.43,;27.11,-48.75,;22.35,-48.68,;20.87,-48.2,;19.53,-48.97,;19.52,-50.51,;18.19,-51.28,;16.65,-51.28,;17.42,-52.62,;18.19,-48.2,;16.86,-48.97,;18.19,-46.65,;16.86,-45.88,;19.53,-45.87,;19.52,-44.33,;20.87,-46.65,;25.52,-41.78,;26.85,-41,;24.68,-40.49,;26.37,-43.07,)| | ||
Structure |