Reaction Details | |||
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Target | Glutamate racemase | ||
Ligand | BDBM50421079 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_842443 (CHEMBL2092116) | ||
IC50 | 670±n/a nM | ||
Citation | Basarab, GS; Hill, P; Eyermann, CJ; Gowravaram, M; Käck, H; Osimoni, E Design of inhibitors of Helicobacter pylori glutamate racemase as selective antibacterial agents: incorporation of imidazoles onto a core pyrazolopyrimidinedione scaffold to improve bioavailabilty. Bioorg Med Chem Lett22:5600-7 (2012) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Glutamate racemase | |||
Name: | Glutamate racemase | ||
Synonyms: | MURI_HELPJ | glr | murI | ||
Type: | PROTEIN | ||
Mol. Mass.: | 28499.39 | ||
Organism: | Helicobacter pylori J99 | ||
Description: | ChEMBL_842443 | ||
Residue: | 255 | ||
Sequence: |
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BDBM50421079 | |||
n/a | |||
Name | BDBM50421079 | ||
Synonyms: | CHEMBL2088114 | ||
Type | Small organic molecule | ||
Emp. Form. | C29H25ClN10O2 | ||
Mol. Mass. | 581.028 | ||
SMILES | Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CCn3ccnn3)c(=O)c12)C#N |(-3.21,-26.99,;-1.71,-27.33,;-.55,-26.32,;.77,-27.12,;.43,-28.62,;-1.11,-28.75,;-1.9,-30.07,;-1,-31.31,;.54,-31.31,;1.31,-32.65,;.54,-33.98,;1.31,-35.31,;2.85,-35.31,;3.62,-33.96,;5.14,-33.96,;5.9,-32.63,;5.13,-31.31,;5.88,-29.97,;3.6,-31.32,;2.85,-32.64,;-1.9,-32.56,;-3.37,-32.09,;-4.7,-32.85,;-4.7,-34.39,;-6.03,-35.15,;-7.57,-35.16,;-6.8,-36.5,;-6.03,-32.08,;-7.36,-32.86,;-6.03,-30.54,;-7.36,-29.78,;-7.37,-28.24,;-8.7,-27.47,;-10.12,-28.1,;-11.15,-26.96,;-10.39,-25.62,;-8.88,-25.94,;-4.7,-29.77,;-4.7,-28.23,;-3.37,-30.54,;2.19,-26.52,;3.6,-25.92,)| | ||
Structure |