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Target
Glutamate racemase
Ligand
BDBM50421043
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
87±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:
BDBM50421043
Synonyms:
CHEMBL2087621
Type:
Small organic molecule
Emp. Form.:
C25H21ClN8O2
Mol. Mass.:
500.94
SMILES:
Cn1cc(nc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)C#N |(12.52,-13.08,;14.02,-13.42,;15.18,-12.41,;16.51,-13.21,;16.16,-14.71,;14.62,-14.84,;13.83,-16.16,;14.73,-17.4,;16.27,-17.4,;17.04,-18.74,;16.27,-20.07,;17.04,-21.4,;18.58,-21.4,;19.35,-20.05,;20.88,-20.05,;21.64,-18.72,;20.86,-17.4,;21.62,-16.06,;19.33,-17.41,;18.58,-18.73,;13.83,-18.65,;12.36,-18.18,;11.03,-18.94,;11.03,-20.48,;9.7,-21.25,;8.16,-21.25,;8.93,-22.59,;9.7,-18.17,;8.37,-18.95,;9.7,-16.63,;8.37,-15.87,;11.03,-15.86,;11.03,-14.32,;12.36,-16.63,;17.92,-12.61,;19.33,-12,)|
Structure:
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