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Target
Glutamate racemase
Ligand
BDBM50421084
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
250±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:
BDBM50421084
Synonyms:
CHEMBL2088119
Type:
Small organic molecule
Emp. Form.:
C27H23ClN8O2
Mol. Mass.:
526.977
SMILES:
Cn1cc(nc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C3CC3)c(=O)c12)C#N |(31.87,-39.79,;33.37,-40.13,;34.54,-39.12,;35.86,-39.92,;35.51,-41.42,;33.97,-41.55,;33.18,-42.87,;34.08,-44.11,;35.62,-44.11,;36.39,-45.45,;35.62,-46.78,;36.39,-48.11,;37.93,-48.11,;38.7,-46.76,;40.23,-46.76,;40.99,-45.43,;40.21,-44.1,;40.97,-42.76,;38.68,-44.12,;37.93,-45.44,;33.18,-45.36,;31.71,-44.88,;30.38,-45.64,;30.38,-47.19,;29.05,-47.95,;27.51,-47.96,;28.28,-49.3,;29.05,-44.88,;27.72,-45.65,;29.05,-43.34,;27.72,-42.58,;26.94,-41.25,;26.17,-42.58,;30.38,-42.56,;30.38,-41.02,;31.71,-43.34,;37.27,-39.32,;38.68,-38.71,)|
Structure:
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