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Target
Glutamate racemase
Ligand
BDBM50421073
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
80±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:
BDBM50421073
Synonyms:
CHEMBL2087864
Type:
Small organic molecule
Emp. Form.:
C28H24ClN7O2
Mol. Mass.:
525.989
SMILES:
Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C3CC3)c(=O)c12)C#N |(33.45,-40.51,;34.95,-40.86,;36.11,-39.85,;37.43,-40.64,;37.09,-42.14,;35.55,-42.27,;34.76,-43.59,;35.66,-44.84,;37.2,-44.84,;37.97,-46.17,;37.2,-47.5,;37.97,-48.83,;39.51,-48.83,;40.28,-47.49,;41.8,-47.48,;42.56,-46.15,;41.79,-44.83,;42.55,-43.49,;40.26,-44.84,;39.51,-46.16,;34.76,-46.08,;33.29,-45.61,;31.96,-46.37,;31.96,-47.91,;30.63,-48.68,;29.09,-48.68,;29.86,-50.02,;30.63,-45.61,;29.3,-46.38,;30.63,-44.07,;29.3,-43.3,;28.52,-41.97,;27.75,-43.31,;31.96,-43.29,;31.96,-41.75,;33.29,-44.07,;38.85,-40.04,;40.26,-39.44,)|
Structure:
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