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Target
Glutamate racemase
Ligand
BDBM50421056
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
54±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:
BDBM50421056
Synonyms:
CHEMBL2087846
Type:
Small organic molecule
Emp. Form.:
C27H24ClN7O3
Mol. Mass.:
529.978
SMILES:
Cn1cncc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC#CCO)c(=O)c12 |(30.7,-12.2,;32.2,-12.55,;33.36,-11.54,;34.68,-12.33,;34.33,-13.83,;32.8,-13.97,;32,-15.28,;32.91,-16.53,;34.45,-16.53,;35.22,-17.86,;34.45,-19.19,;35.22,-20.53,;36.76,-20.53,;37.52,-19.18,;39.05,-19.17,;39.81,-17.85,;39.03,-16.52,;39.79,-15.18,;37.51,-16.53,;36.75,-17.86,;32,-17.78,;30.54,-17.3,;29.21,-18.06,;29.21,-19.6,;27.87,-20.37,;26.33,-20.38,;27.1,-21.71,;27.88,-17.3,;26.54,-18.07,;27.88,-15.76,;26.54,-14.99,;26.54,-13.45,;26.52,-11.91,;26.51,-10.37,;27.84,-9.59,;29.21,-14.98,;29.21,-13.44,;30.54,-15.76,)|
Structure:
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