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Target
Glutamate racemase
Ligand
BDBM50421046
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
170±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:
BDBM50421046
Synonyms:
CHEMBL2087624
Type:
Small organic molecule
Emp. Form.:
C24H24ClN7O2
Mol. Mass.:
477.946
SMILES:
CC(C)Cn1c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3cncn3C)c2c(=O)n(C)c1=O |(10.21,-35.14,;10.21,-33.6,;8.87,-32.83,;11.54,-32.83,;11.54,-31.29,;12.87,-30.53,;14.34,-31.01,;15.24,-29.76,;16.78,-29.76,;17.55,-31.09,;16.78,-32.42,;17.55,-33.76,;19.09,-33.76,;19.86,-32.41,;21.39,-32.4,;22.15,-31.08,;21.37,-29.75,;22.13,-28.41,;19.84,-29.76,;19.09,-31.09,;14.34,-28.51,;15.13,-27.2,;16.67,-27.06,;17.02,-25.56,;15.69,-24.77,;14.53,-25.78,;13.03,-25.43,;12.87,-28.99,;11.54,-28.21,;11.54,-26.67,;10.21,-28.99,;8.88,-28.22,;10.21,-30.53,;8.88,-31.3,)|
Structure:
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