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Target
Glutamate racemase
Ligand
BDBM50421074
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
88±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:
BDBM50421074
Synonyms:
CHEMBL2087865
Type:
Small organic molecule
Emp. Form.:
C27H24ClN7O3
Mol. Mass.:
529.978
SMILES:
Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CCO)c(=O)c12)C#N |(-3.63,3.59,;-2.13,3.24,;-.97,4.25,;.35,3.46,;.01,1.96,;-1.53,1.82,;-2.32,.51,;-1.42,-.74,;.12,-.74,;.89,-2.07,;.12,-3.4,;.89,-4.74,;2.43,-4.74,;3.2,-3.39,;4.72,-3.38,;5.48,-2.06,;4.71,-.73,;5.47,.61,;3.18,-.74,;2.43,-2.07,;-2.32,-1.99,;-3.79,-1.51,;-5.12,-2.27,;-5.12,-3.81,;-6.45,-4.58,;-7.99,-4.59,;-7.22,-5.92,;-6.45,-1.51,;-7.78,-2.28,;-6.45,.03,;-7.78,.8,;-7.79,2.34,;-9.13,3.1,;-5.12,.81,;-5.12,2.35,;-3.79,.03,;1.77,4.06,;3.18,4.66,)|
Structure:
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