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Target
Glutamate racemase
Ligand
BDBM50421053
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
810±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:
BDBM50421053
Synonyms:
CHEMBL2087844
Type:
Small organic molecule
Emp. Form.:
C23H21ClN8O2
Mol. Mass.:
476.918
SMILES:
Cn1ncnc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12 |(32.1,4.36,;33.6,4.01,;34.77,5.02,;36.09,4.23,;35.74,2.73,;34.21,2.59,;33.41,1.28,;34.32,.03,;35.86,.03,;36.63,-1.3,;35.85,-2.63,;36.62,-3.97,;38.16,-3.97,;38.93,-2.62,;40.46,-2.61,;41.22,-1.29,;40.44,.04,;41.2,1.38,;38.91,.03,;38.16,-1.3,;33.41,-1.22,;31.94,-.74,;30.61,-1.5,;30.61,-3.04,;29.28,-3.81,;27.74,-3.82,;28.51,-5.15,;29.28,-.74,;27.95,-1.51,;29.28,.8,;27.95,1.57,;30.61,1.58,;30.61,3.12,;31.94,.8,)|
Structure:
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