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Target
Glutamate racemase
Ligand
BDBM50421068
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
57±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:
BDBM50421068
Synonyms:
CHEMBL2087859
Type:
Small organic molecule
Emp. Form.:
C29H24ClN7O3
Mol. Mass.:
553.999
SMILES:
Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC#CCO)c(=O)c12)C#N |(-5.1,-25.48,;-3.6,-25.83,;-2.44,-24.82,;-1.12,-25.61,;-1.46,-27.11,;-3,-27.24,;-3.79,-28.56,;-2.89,-29.81,;-1.35,-29.81,;-.58,-31.14,;-1.35,-32.47,;-.58,-33.8,;.96,-33.8,;1.73,-32.46,;3.25,-32.45,;4.01,-31.12,;3.24,-29.8,;3.99,-28.46,;1.71,-29.81,;.96,-31.13,;-3.79,-31.05,;-5.26,-30.58,;-6.59,-31.34,;-6.59,-32.88,;-7.92,-33.65,;-9.46,-33.66,;-8.69,-34.99,;-7.92,-30.58,;-9.25,-31.35,;-7.92,-29.04,;-9.25,-28.27,;-9.26,-26.73,;-9.27,-25.19,;-9.28,-23.65,;-7.96,-22.86,;-6.59,-28.26,;-6.59,-26.72,;-5.26,-29.04,;.3,-25.01,;1.71,-24.41,)|
Structure:
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