Reaction Details | |||
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Target | Glutamate racemase | ||
Ligand | BDBM50261911 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_514356 (CHEMBL967970) | ||
IC50 | 59±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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BDBM50261911 | |||
n/a | |||
Name | BDBM50261911 | ||
Synonyms: | 3-(3-chloro-5-(methylsulfonyl)furan-2-yl)-2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropylmethyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione | CHEMBL469007 | ||
Type | Small organic molecule | ||
Emp. Form. | C25H21Cl2N5O5S | ||
Mol. Mass. | 574.436 | ||
SMILES | Cn1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3oc(cc3Cl)S(C)(=O)=O)c2c1=O |(15.9,-13.52,;17.24,-14.28,;17.24,-15.83,;15.9,-16.6,;18.57,-16.6,;18.57,-18.15,;17.23,-18.91,;15.7,-18.92,;16.46,-20.25,;19.92,-15.84,;21.39,-16.31,;22.3,-15.06,;23.85,-15.06,;24.62,-16.39,;23.84,-17.73,;24.61,-19.06,;26.16,-19.06,;26.92,-17.71,;28.46,-17.71,;29.22,-16.38,;28.44,-15.05,;29.2,-13.71,;26.91,-15.06,;26.15,-16.39,;21.39,-13.8,;21.86,-12.34,;23.33,-11.86,;23.32,-10.32,;21.86,-9.85,;20.96,-11.1,;19.42,-11.1,;24.57,-9.41,;25.89,-8.63,;23.72,-8.12,;25.42,-10.7,;19.92,-14.28,;18.57,-13.5,;18.57,-11.96,)| | ||
Structure |