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Target
Glutamate racemase
Ligand
BDBM50262012
Substrate
n/a
Meas. Tech.
ChEMBL_514356 (CHEMBL967970)
IC50
36±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:
BDBM50262012
Synonyms:
5-(2-((5-chloro-1H-indol-3-yl)methyl)-7-(cyclopropylmethyl)-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl)-N-methoxy-1-methyl-1H-pyrrole-3-sulfonamide | CHEMBL468164
Type:
Small organic molecule
Emp. Form.:
C25H26ClN7O5S
Mol. Mass.:
572.036
SMILES:
CONS(=O)(=O)c1cc(-c2n(Cc3c[nH]c4ccc(Cl)cc34)nc3n(CC4CC4)c(=O)n(C)c(=O)c23)n(C)c1 |(3.98,-13.58,;3.97,-12.04,;2.63,-11.28,;1.3,-12.06,;.46,-10.78,;2.15,-13.35,;.06,-12.97,;.06,-14.51,;-1.4,-14.99,;-1.87,-16.45,;-.96,-17.71,;.58,-17.71,;1.35,-19.04,;.73,-20.44,;1.87,-21.47,;3.2,-20.7,;4.66,-21.18,;5.8,-20.15,;5.48,-18.64,;6.62,-17.61,;4.02,-18.17,;2.89,-19.2,;-1.87,-18.96,;-3.35,-18.48,;-4.69,-19.25,;-4.69,-20.79,;-6.03,-21.56,;-7.56,-21.56,;-6.8,-22.9,;-6.02,-18.48,;-7.36,-19.25,;-6.02,-16.93,;-7.36,-16.16,;-4.69,-16.15,;-4.69,-14.61,;-3.35,-16.93,;-2.3,-13.75,;-3.84,-13.75,;-1.4,-12.5,)|
Structure:
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