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Target
Glutamate racemase
Ligand
BDBM50421055
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
24±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:
BDBM50421055
Synonyms:
CHEMBL1652588
Type:
Small organic molecule
Emp. Form.:
C26H22ClN7O2
Mol. Mass.:
499.952
SMILES:
Cn1cncc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC#C)c(=O)c12 |(11.26,-9.68,;12.8,-9.68,;13.7,-8.44,;15.16,-8.91,;15.16,-10.45,;13.7,-10.92,;13.23,-12.37,;14.14,-13.62,;15.68,-13.62,;16.45,-14.96,;15.68,-16.29,;16.45,-17.63,;17.99,-17.63,;18.76,-16.28,;20.29,-16.27,;21.05,-14.94,;20.27,-13.61,;21.03,-12.27,;18.74,-13.63,;17.99,-14.95,;13.23,-14.87,;11.76,-14.4,;10.43,-15.16,;10.43,-16.7,;9.09,-17.47,;7.55,-17.48,;8.32,-18.81,;9.1,-14.39,;7.76,-15.17,;9.1,-12.85,;7.76,-12.08,;7.76,-10.54,;7.75,-9.01,;10.43,-12.07,;10.43,-10.53,;11.76,-12.85,)|
Structure:
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