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Target
Glutamate racemase
Ligand
BDBM50421087
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
470±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:
BDBM50421087
Synonyms:
CHEMBL2087870
Type:
Small organic molecule
Emp. Form.:
C30H26ClN9O2
Mol. Mass.:
580.04
SMILES:
Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CCn3cccn3)c(=O)c12)C#N |(32.7,-12.31,;34.2,-12.65,;35.36,-11.64,;36.68,-12.43,;36.33,-13.94,;34.8,-14.07,;34,-15.39,;34.91,-16.63,;36.45,-16.63,;37.22,-17.97,;36.45,-19.3,;37.22,-20.63,;38.76,-20.63,;39.52,-19.28,;41.05,-19.28,;41.81,-17.95,;41.03,-16.62,;41.79,-15.28,;39.51,-16.64,;38.76,-17.96,;34,-17.88,;32.54,-17.4,;31.21,-18.16,;31.21,-19.7,;29.87,-20.47,;28.33,-20.48,;29.1,-21.81,;29.88,-17.4,;28.55,-18.17,;29.88,-15.86,;28.54,-15.09,;28.54,-13.55,;27.2,-12.79,;25.79,-13.43,;24.75,-12.29,;25.52,-10.95,;27.03,-11.27,;31.21,-15.08,;31.21,-13.54,;32.54,-15.86,;38.09,-11.83,;39.51,-11.23,)|
Structure:
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