Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Glutamate racemase | ||
Ligand | BDBM50261913 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_514356 (CHEMBL967970) | ||
IC50 | 57±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: |
| ||
BDBM50261913 | |||
n/a | |||
Name | BDBM50261913 | ||
Synonyms: | 2-((5-chloro-1-methyl-1H-indol-3-yl)methyl)-7-(cyclopropylmethyl)-5-methyl-3-(2-methyl-5-(methylsulfonyl)furan-3-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione | CHEMBL467803 | ||
Type | Small organic molecule | ||
Emp. Form. | C26H26ClN5O5S | ||
Mol. Mass. | 556.033 | ||
SMILES | Cc1oc(cc1-c1n(Cc2cn(C)c3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(C)(=O)=O |(19.66,-27.53,;21.2,-27.53,;22.1,-26.29,;23.56,-26.76,;23.57,-28.29,;22.1,-28.77,;21.63,-30.24,;22.54,-31.49,;24.08,-31.49,;24.85,-32.82,;24.23,-34.23,;25.38,-35.26,;25.22,-36.79,;26.71,-34.49,;28.16,-34.96,;29.31,-33.93,;28.98,-32.43,;30.12,-31.39,;27.52,-31.96,;26.39,-32.98,;21.63,-32.74,;20.16,-32.27,;18.81,-33.03,;18.81,-34.57,;17.47,-35.34,;15.94,-35.34,;16.71,-36.68,;17.48,-32.26,;16.15,-33.03,;17.48,-30.71,;16.14,-29.95,;18.81,-29.94,;18.81,-28.4,;20.16,-30.71,;24.8,-25.85,;26.13,-25.07,;23.96,-24.56,;25.65,-27.13,)| | ||
Structure |