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Target
Glutamate racemase
Ligand
BDBM50421058
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
63±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 Lett 22:5600-7 (2012) [PubMed]  Article 
Target
Name:
Glutamate racemase
Synonyms:
MURI_HELPJ | glr | murI
Type:
PROTEIN
Mol. Mass.:
28499.39
Organism:
Helicobacter pylori J99
Description:
ChEMBL_842443
Residue:
255
Sequence:
MKIGVFDSGVGGFSVLKSLLKARLFDEIIYYGDSARVPYGTKDPTTIKQFGLEALDFFKPHEIELLIVACNTASALALEEMQKYSKIPIVGVIEPSILAIKRQVEDKNAPILVLGTKATIQSNAYDNALKQQGYLNISHLATSLFVPLIEESILEGELLETCMHYYFTPLEILPEVIILGCTHFPLIAQKIEGYFMGHFALPTPPLLIHSGDAIVEYLQQKYALKNNACTFPKVEFHASGDVIWLERQAKEWLKL
  
Inhibitor
Name:
BDBM50421058
Synonyms:
CHEMBL2087848
Type:
Small organic molecule
Emp. Form.:
C27H24ClN7O2
Mol. Mass.:
513.978
SMILES:
CC#CCn1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3cncn3C)c2c1=O |(9.77,-25.41,;9.78,-26.95,;9.8,-28.49,;9.8,-30.03,;11.14,-30.8,;11.14,-32.34,;9.81,-33.11,;12.47,-33.1,;12.47,-34.64,;11.13,-35.41,;9.59,-35.42,;10.36,-36.75,;13.8,-32.34,;15.26,-32.82,;16.17,-31.57,;17.71,-31.57,;18.48,-32.9,;17.71,-34.23,;18.48,-35.57,;20.02,-35.57,;20.78,-34.22,;22.31,-34.21,;23.07,-32.89,;22.29,-31.56,;23.05,-30.22,;20.77,-31.57,;20.01,-32.9,;15.26,-30.32,;16.06,-29.01,;17.59,-28.87,;17.94,-27.37,;16.62,-26.58,;15.46,-27.59,;13.96,-27.24,;13.8,-30.8,;12.47,-30.02,;12.47,-28.48,)|
Structure:
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