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Target
Glutamate racemase
Ligand
BDBM50421078
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
260±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:
BDBM50421078
Synonyms:
CHEMBL2087869
Type:
Small organic molecule
Emp. Form.:
C32H26ClN9O2
Mol. Mass.:
604.061
SMILES:
Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC#CCn3ccnc3)c(=O)c12)C#N |(12.81,-12.63,;14.32,-12.98,;15.48,-11.97,;16.8,-12.76,;16.45,-14.26,;14.92,-14.4,;14.12,-15.71,;15.03,-16.96,;16.57,-16.96,;17.34,-18.29,;16.56,-19.62,;17.33,-20.95,;18.88,-20.96,;19.64,-19.61,;21.17,-19.6,;21.93,-18.27,;21.15,-16.95,;21.91,-15.61,;19.62,-16.96,;18.87,-18.28,;14.12,-18.21,;12.65,-17.73,;11.32,-18.49,;11.32,-20.03,;9.99,-20.8,;8.45,-20.81,;9.22,-22.14,;10,-17.73,;8.66,-18.5,;10,-16.19,;8.66,-15.42,;8.65,-13.88,;8.64,-12.34,;8.63,-10.8,;9.96,-10.02,;10.1,-8.47,;11.6,-8.14,;12.38,-9.47,;11.36,-10.62,;11.32,-15.41,;11.32,-13.87,;12.65,-16.19,;18.21,-12.16,;19.63,-11.56,)|
Structure:
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