Reaction Details | |||
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Target | Glutamate racemase | ||
Ligand | BDBM50421080 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_842443 (CHEMBL2092116) | ||
IC50 | 89±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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BDBM50421080 | |||
n/a | |||
Name | BDBM50421080 | ||
Synonyms: | CHEMBL2088115 | ||
Type | Small organic molecule | ||
Emp. Form. | C27H21ClN8O2 | ||
Mol. Mass. | 524.961 | ||
SMILES | Cn1cc(nc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC#C)c(=O)c12)C#N |(12.9,-27.98,;14.4,-28.32,;15.56,-27.31,;16.88,-28.11,;16.54,-29.61,;15,-29.74,;14.2,-31.06,;15.11,-32.3,;16.65,-32.3,;17.42,-33.64,;16.65,-34.97,;17.42,-36.3,;18.96,-36.3,;19.73,-34.95,;21.25,-34.95,;22.01,-33.62,;21.23,-32.3,;21.99,-30.96,;19.71,-32.31,;18.96,-33.63,;14.21,-33.55,;12.74,-33.08,;11.41,-33.84,;11.41,-35.38,;10.07,-36.15,;8.54,-36.15,;9.31,-37.49,;10.08,-33.07,;8.75,-33.85,;10.08,-31.53,;8.74,-30.77,;8.74,-29.23,;8.73,-27.68,;11.41,-30.76,;11.41,-29.22,;12.74,-31.53,;18.29,-27.51,;19.71,-26.91,)| | ||
Structure |