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Target
Glutamate racemase
Ligand
BDBM50421067
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
55±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:
BDBM50421067
Synonyms:
CHEMBL2087858
Type:
Small organic molecule
Emp. Form.:
C27H21ClN8O2
Mol. Mass.:
524.961
SMILES:
Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC#N)c(=O)c12)C#N |(33.54,-11.99,;35.04,-12.34,;36.2,-11.33,;37.52,-12.12,;37.17,-13.62,;35.64,-13.76,;34.84,-15.07,;35.75,-16.32,;37.29,-16.32,;38.06,-17.65,;37.29,-18.98,;38.06,-20.32,;39.6,-20.32,;40.36,-18.97,;41.89,-18.96,;42.65,-17.64,;41.87,-16.31,;42.63,-14.97,;40.35,-16.32,;39.59,-17.65,;34.84,-17.57,;33.38,-17.09,;32.05,-17.85,;32.05,-19.39,;30.71,-20.16,;29.17,-20.17,;29.94,-21.5,;30.72,-17.09,;29.39,-17.86,;30.72,-15.55,;29.38,-14.78,;29.38,-13.24,;29.37,-11.71,;32.05,-14.77,;32.05,-13.23,;33.38,-15.55,;38.93,-11.52,;40.35,-10.92,)|
Structure:
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