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Target
Glutamate racemase
Ligand
BDBM50421069
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
62±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:
BDBM50421069
Synonyms:
CHEMBL2087860
Type:
Small organic molecule
Emp. Form.:
C29H26ClN7O2
Mol. Mass.:
540.015
SMILES:
Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c12)C#N |(14.84,-25.21,;16.35,-25.56,;17.51,-24.54,;18.83,-25.34,;18.48,-26.84,;16.95,-26.97,;16.15,-28.29,;17.06,-29.54,;18.6,-29.54,;19.37,-30.87,;18.59,-32.2,;19.36,-33.53,;20.91,-33.53,;21.67,-32.19,;23.2,-32.18,;23.96,-30.85,;23.18,-29.53,;23.94,-28.19,;21.66,-29.54,;20.9,-30.86,;16.15,-30.78,;14.68,-30.31,;13.35,-31.07,;13.35,-32.61,;12.02,-33.38,;10.48,-33.38,;11.25,-34.72,;12.03,-30.3,;10.69,-31.08,;12.03,-28.76,;10.69,-28,;10.68,-26.46,;11.44,-25.13,;9.9,-25.13,;13.35,-27.99,;13.35,-26.45,;14.68,-28.76,;20.24,-24.74,;21.66,-24.14,)|
Structure:
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