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Target
Glutamate racemase
Ligand
BDBM50421083
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
250±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:
BDBM50421083
Synonyms:
CHEMBL2088118
Type:
Small organic molecule
Emp. Form.:
C27H23ClN8O2
Mol. Mass.:
526.977
SMILES:
Cn1cc(nc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC=C)c(=O)c12)C#N |(12.66,-40.8,;14.16,-41.15,;15.32,-40.14,;16.64,-40.93,;16.3,-42.43,;14.76,-42.57,;13.96,-43.88,;14.87,-45.13,;16.41,-45.13,;17.18,-46.47,;16.41,-47.79,;17.18,-49.13,;18.72,-49.13,;19.49,-47.78,;21.01,-47.77,;21.77,-46.45,;20.99,-45.12,;21.75,-43.78,;19.47,-45.14,;18.72,-46.46,;13.96,-46.38,;12.5,-45.9,;11.17,-46.66,;11.17,-48.2,;9.83,-48.97,;8.3,-48.98,;9.07,-50.31,;9.84,-45.9,;8.51,-46.67,;9.84,-44.36,;8.5,-43.59,;8.5,-42.05,;7.16,-41.29,;11.17,-43.58,;11.17,-42.04,;12.5,-44.36,;18.05,-40.33,;19.47,-39.73,)|
Structure:
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