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Target
Glutamate racemase
Ligand
BDBM50421057
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
56±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:
BDBM50421057
Synonyms:
CHEMBL2087847
Type:
Small organic molecule
Emp. Form.:
C26H24ClN7O2
Mol. Mass.:
501.967
SMILES:
Cn1cncc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC=C)c(=O)c12 |(-3.64,-25.96,;-2.14,-26.3,;-.97,-25.29,;.35,-26.08,;-0,-27.59,;-1.53,-27.72,;-2.33,-29.04,;-1.42,-30.28,;.12,-30.28,;.89,-31.62,;.11,-32.95,;.88,-34.28,;2.42,-34.28,;3.19,-32.93,;4.72,-32.93,;5.48,-31.6,;4.7,-30.27,;5.46,-28.93,;3.17,-30.29,;2.42,-31.61,;-2.33,-31.53,;-3.8,-31.05,;-5.13,-31.81,;-5.13,-33.35,;-6.46,-34.12,;-8,-34.13,;-7.23,-35.46,;-6.46,-31.05,;-7.79,-31.82,;-6.46,-29.51,;-7.79,-28.75,;-7.8,-27.21,;-9.13,-26.44,;-5.13,-28.73,;-5.13,-27.19,;-3.8,-29.51,)|
Structure:
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