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Target
Glutamate racemase
Ligand
BDBM50421059
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
69±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:
BDBM50421059
Synonyms:
CHEMBL2087849
Type:
Small organic molecule
Emp. Form.:
C27H26ClN7O2
Mol. Mass.:
515.994
SMILES:
Cn1cncc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c12 |(33.55,-26.78,;35.05,-27.13,;36.21,-26.12,;37.53,-26.91,;37.19,-28.41,;35.65,-28.54,;34.86,-29.86,;35.76,-31.11,;37.3,-31.11,;38.07,-32.44,;37.3,-33.77,;38.07,-35.1,;39.61,-35.1,;40.38,-33.76,;41.9,-33.75,;42.66,-32.42,;41.89,-31.1,;42.65,-29.76,;40.36,-31.11,;39.61,-32.43,;34.86,-32.35,;33.39,-31.88,;32.06,-32.64,;32.06,-34.18,;30.73,-34.95,;29.19,-34.95,;29.96,-36.29,;30.73,-31.88,;29.4,-32.65,;30.73,-30.34,;29.4,-29.57,;29.39,-28.03,;30.15,-26.7,;28.61,-26.7,;32.06,-29.56,;32.06,-28.02,;33.39,-30.34,)|
Structure:
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