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Target
Glutamate racemase
Ligand
BDBM50421070
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
70±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:
BDBM50421070
Synonyms:
CHEMBL2087861
Type:
Small organic molecule
Emp. Form.:
C27H24ClN7O2
Mol. Mass.:
513.978
SMILES:
CCn1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3cc(cn3C)C#N)c2c1=O |(30.23,-27.35,;30.24,-28.89,;31.57,-29.66,;31.57,-31.2,;30.24,-31.97,;32.9,-31.96,;32.9,-33.5,;31.57,-34.27,;30.03,-34.28,;30.8,-35.61,;34.23,-31.2,;35.7,-31.68,;36.6,-30.43,;38.14,-30.43,;38.91,-31.76,;38.14,-33.09,;38.91,-34.43,;40.45,-34.43,;41.22,-33.08,;42.74,-33.07,;43.5,-31.75,;42.73,-30.42,;43.49,-29.08,;41.2,-30.43,;40.45,-31.76,;35.7,-29.18,;36.49,-27.87,;38.03,-27.73,;38.37,-26.23,;37.05,-25.44,;35.89,-26.45,;34.39,-26.1,;39.79,-25.63,;41.2,-25.03,;34.23,-29.66,;32.9,-28.88,;32.9,-27.34,)|
Structure:
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