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Target
Glutamate racemase
Ligand
BDBM50421042
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
39±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:
BDBM50421042
Synonyms:
CHEMBL2087619
Type:
Small organic molecule
Emp. Form.:
C27H25ClN6O3
Mol. Mass.:
516.979
SMILES:
CC(=O)c1cc(-c2n(Cc3ccnc4ccc(Cl)cc34)nc3n(CC4CC4)c(=O)n(C)c(=O)c23)n(C)c1 |(37.58,2.53,;36.35,3.45,;36.54,4.98,;34.93,2.85,;34.59,1.35,;33.05,1.22,;32.26,-.1,;33.16,-1.35,;34.7,-1.35,;35.47,-2.68,;34.7,-4.01,;35.47,-5.34,;37.01,-5.34,;37.78,-4,;39.3,-3.99,;40.06,-2.66,;39.29,-1.34,;40.04,0,;37.76,-1.35,;37.01,-2.67,;32.26,-2.59,;30.79,-2.12,;29.46,-2.88,;29.46,-4.42,;28.13,-5.19,;26.59,-5.19,;27.36,-6.53,;28.13,-2.12,;26.8,-2.89,;28.13,-.58,;26.8,.19,;29.46,.2,;29.46,1.74,;30.79,-.58,;32.45,2.63,;30.95,2.98,;33.61,3.64,)|
Structure:
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