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Target
Glutamate racemase
Ligand
BDBM50421049
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
230±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:
BDBM50421049
Synonyms:
CHEMBL2087627
Type:
Small organic molecule
Emp. Form.:
C23H21ClN8O2
Mol. Mass.:
476.918
SMILES:
Cn1cnnc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12 |(13.36,-40.21,;14.86,-40.56,;16.02,-39.55,;17.35,-40.34,;17,-41.84,;15.46,-41.98,;14.67,-43.29,;15.57,-44.54,;17.11,-44.54,;17.88,-45.87,;17.11,-47.2,;17.88,-48.54,;19.42,-48.54,;20.19,-47.19,;21.72,-47.18,;22.48,-45.86,;21.7,-44.53,;22.46,-43.19,;20.17,-44.54,;19.42,-45.87,;14.67,-45.79,;13.2,-45.31,;11.87,-46.07,;11.87,-47.61,;10.54,-48.38,;9,-48.39,;9.77,-49.72,;10.54,-45.31,;9.21,-46.08,;10.54,-43.77,;9.21,-43,;11.87,-42.99,;11.87,-41.45,;13.2,-43.77,)|
Structure:
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