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Target
Glutamate racemase
Ligand
BDBM50421071
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
70±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:
BDBM50421071
Synonyms:
CHEMBL2087862
Type:
Small organic molecule
Emp. Form.:
C28H24ClN7O2
Mol. Mass.:
525.989
SMILES:
Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC=C)c(=O)c12)C#N |(-4.42,-41.12,;-2.92,-41.47,;-1.76,-40.46,;-.44,-41.25,;-.79,-42.75,;-2.32,-42.89,;-3.12,-44.2,;-2.21,-45.45,;-.67,-45.45,;.1,-46.78,;-.67,-48.11,;.1,-49.45,;1.64,-49.45,;2.4,-48.1,;3.93,-48.09,;4.69,-46.77,;3.91,-45.44,;4.67,-44.1,;2.39,-45.45,;1.64,-46.78,;-3.12,-46.7,;-4.58,-46.22,;-5.91,-46.98,;-5.91,-48.52,;-7.25,-49.29,;-8.79,-49.3,;-8.02,-50.63,;-7.24,-46.22,;-8.57,-46.99,;-7.24,-44.68,;-8.58,-43.91,;-8.58,-42.37,;-9.92,-41.61,;-5.91,-43.9,;-5.91,-42.36,;-4.58,-44.68,;.97,-40.65,;2.39,-40.05,)|
Structure:
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