Reaction Details | |||
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Target | Glutamate racemase | ||
Ligand | BDBM50262115 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_514356 (CHEMBL967970) | ||
IC50 | 26±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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BDBM50262115 | |||
n/a | |||
Name | BDBM50262115 | ||
Synonyms: | 2-((5-chloro-1H-indol-3-yl)methyl)-7-(cyclopropylmethyl)-5-methyl-3-(1-methyl-4-(methylsulfonyl)-1H-pyrrol-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione | CHEMBL469231 | ||
Type | Small organic molecule | ||
Emp. Form. | C25H25ClN6O4S | ||
Mol. Mass. | 541.022 | ||
SMILES | Cn1cc(cc1-c1n(Cc2c[nH]c3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(C)(=O)=O |(19.34,2.59,;20.88,2.59,;21.78,3.84,;23.24,3.37,;23.25,1.83,;21.78,1.35,;21.31,-.11,;22.22,-1.37,;23.76,-1.37,;24.53,-2.7,;23.91,-4.1,;25.06,-5.13,;26.39,-4.36,;27.85,-4.84,;28.99,-3.81,;28.66,-2.3,;29.81,-1.27,;27.21,-1.83,;26.07,-2.86,;21.31,-2.62,;19.84,-2.14,;18.5,-2.91,;18.49,-4.45,;17.16,-5.22,;15.62,-5.22,;16.39,-6.55,;17.16,-2.14,;15.83,-2.91,;17.16,-.59,;15.83,.18,;18.5,.19,;18.49,1.73,;19.84,-.59,;24.49,4.28,;25.73,5.19,;23.64,5.56,;25.34,2.99,)| | ||
Structure |