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Target
Glutamate racemase
Ligand
BDBM50421088
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
79±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:
BDBM50421088
Synonyms:
CHEMBL2087851
Type:
Small organic molecule
Emp. Form.:
C26H24ClN7O2
Mol. Mass.:
501.967
SMILES:
Cn1cncc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C3CC3)c(=O)c12 |(14.08,-41.22,;15.58,-41.57,;16.75,-40.56,;18.07,-41.35,;17.72,-42.85,;16.18,-42.99,;15.39,-44.3,;16.29,-45.55,;17.83,-45.55,;18.6,-46.89,;17.83,-48.21,;18.6,-49.55,;20.14,-49.55,;20.91,-48.2,;22.44,-48.19,;23.2,-46.87,;22.42,-45.54,;23.18,-44.2,;20.89,-45.55,;20.14,-46.88,;15.39,-46.8,;13.92,-46.32,;12.59,-47.08,;12.59,-48.62,;11.26,-49.39,;9.72,-49.4,;10.49,-50.73,;11.26,-46.32,;9.93,-47.09,;11.26,-44.78,;9.93,-44.01,;9.15,-42.69,;8.38,-44.02,;12.59,-44,;12.59,-42.46,;13.92,-44.78,)|
Structure:
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