Reaction Details Report a problem with these data
Target
Glutamate racemase
Ligand
BDBM50262163
Substrate
n/a
Meas. Tech.
ChEMBL_514356 (CHEMBL967970)
IC50
33±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:
BDBM50262163
Synonyms:
2-((5-chloro-1-methyl-1H-indol-3-yl)methyl)-7-(cyclopropylmethyl)-5-methyl-3-(1-methyl-4-(methylsulfonyl)-1H-pyrrol-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione | CHEMBL513872
Type:
Small organic molecule
Emp. Form.:
C26H27ClN6O4S
Mol. Mass.:
555.048
SMILES:
Cn1cc(cc1-c1n(Cc2cn(C)c3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(C)(=O)=O |(-3.41,-16.12,;-1.87,-16.12,;-.98,-14.87,;.49,-15.34,;.49,-16.88,;-.97,-17.36,;-1.44,-18.82,;-.53,-20.08,;1.01,-20.08,;1.78,-21.41,;1.16,-22.81,;2.3,-23.84,;2.14,-25.38,;3.63,-23.07,;5.09,-23.55,;6.23,-22.52,;5.91,-21.01,;7.05,-19.98,;4.45,-20.54,;3.31,-21.57,;-1.44,-21.33,;-2.92,-20.85,;-4.26,-21.62,;-4.26,-23.16,;-5.6,-23.93,;-7.14,-23.93,;-6.37,-25.27,;-5.6,-20.85,;-6.93,-21.62,;-5.6,-19.3,;-6.93,-18.54,;-4.26,-18.52,;-4.26,-16.98,;-2.92,-19.3,;1.73,-14.44,;2.97,-13.53,;.88,-13.15,;2.58,-15.72,)|
Structure:
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