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Target
Glutamate racemase
Ligand
BDBM50261966
Substrate
n/a
Meas. Tech.
ChEMBL_514356 (CHEMBL967970)
IC50
44±n/a nM
Citation
 Basarab, GS; Hill, PJ; Rastagar, A; Webborn, PJ Design of Helicobacter pylori glutamate racemase inhibitors as selective antibacterial agents: a novel pro-drug approach to increase exposure. Bioorg Med Chem Lett 18:4716-22 (2008) [PubMed]  Article 
Target
Name:
Glutamate racemase
Synonyms:
MURI_HELPY | glr | murI
Type:
PROTEIN
Mol. Mass.:
28413.39
Organism:
Helicobacter pylori
Description:
ChEMBL_475324
Residue:
255
Sequence:
MKIGVFDSGVGGFSVLKSLLKAQLFDEIIYYGDSARVPYGTKDPTTIKQFGLEALDFFKPHQIKLLIVACNTASALALEEMQKHSKIPVVGVIEPSILAIKRQVKDKNAPILVLGTKATIQSNAYDNALKQQGYLNVSHLATSLFVPLIEESILEGELLETCMRYYFTPLEILPEVVILGCTHFPLIAQKIEGYFMEHFALSTPPLLIHSGDAIVEYLQQNYALKKNACAFPKVEFHASGDVVWLEKQAKEWLKL
  
Inhibitor
Name:
BDBM50261966
Synonyms:
5-(2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropylmethyl)-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl)-N,1-dimethyl-1H-pyrrole-3-sulfonamide | CHEMBL513864
Type:
Small organic molecule
Emp. Form.:
C26H26ClN7O4S
Mol. Mass.:
568.047
SMILES:
CNS(=O)(=O)c1cc(-c2n(Cc3ccnc4ccc(Cl)cc34)nc3n(CC4CC4)c(=O)n(C)c(=O)c23)n(C)c1 |(3.07,6.21,;3.08,4.67,;1.76,3.89,;.91,5.17,;2.61,2.6,;.51,2.98,;.52,1.44,;-.95,.96,;-1.42,-.51,;-.51,-1.76,;1.03,-1.76,;1.8,-3.1,;1.03,-4.43,;1.8,-5.76,;3.34,-5.76,;4.11,-4.42,;5.64,-4.41,;6.4,-3.08,;5.62,-1.75,;6.38,-.41,;4.09,-1.76,;3.34,-3.09,;-1.42,-3.02,;-2.9,-2.54,;-4.24,-3.3,;-4.24,-4.85,;-5.58,-5.61,;-7.11,-5.62,;-6.35,-6.95,;-5.57,-2.53,;-6.91,-3.3,;-5.57,-.98,;-6.91,-.22,;-4.24,-.21,;-4.24,1.34,;-2.9,-.98,;-1.85,2.2,;-3.39,2.2,;-.95,3.45,)|
Structure:
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