Reaction Details Report a problem with these data
Target
Glutamate racemase
Ligand
BDBM50215445
Substrate
n/a
Meas. Tech.
ChEMBL_514356 (CHEMBL967970)
IC50
26±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:
BDBM50215445
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)-1-methyl-1H-pyrrole-3-carbonitrile | CHEMBL257600
Type:
Small organic molecule
Emp. Form.:
C26H22ClN7O2
Mol. Mass.:
499.952
SMILES:
Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)C#N |(17.56,4.29,;19.1,4.29,;20,5.54,;21.47,5.06,;21.47,3.52,;20,3.04,;19.53,1.58,;20.45,.33,;21.99,.33,;22.76,-1.01,;21.98,-2.34,;22.75,-3.67,;24.29,-3.67,;25.06,-2.32,;26.59,-2.32,;27.35,-.99,;26.57,.34,;27.33,1.68,;25.05,.33,;24.29,-1,;19.53,-.93,;18.06,-.45,;16.72,-1.22,;16.71,-2.76,;15.38,-3.52,;13.84,-3.53,;14.61,-4.86,;15.38,-.45,;14.05,-1.22,;15.38,1.1,;14.05,1.87,;16.72,1.88,;16.71,3.42,;18.06,1.1,;22.71,5.96,;23.96,6.86,)|
Structure:
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