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Target
Glutamate racemase
Ligand
BDBM50262061
Substrate
n/a
Meas. Tech.
ChEMBL_514356 (CHEMBL967970)
IC50
37±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:
BDBM50262061
Synonyms:
2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropylmethyl)-5-methyl-3-(1-methyl-4-(methylsulfinyl)-1H-pyrrol-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione | CHEMBL469219
Type:
Small organic molecule
Emp. Form.:
C26H25ClN6O3S
Mol. Mass.:
537.033
SMILES:
Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(C)=O |(-3.28,-44.41,;-1.74,-44.41,;-.84,-43.17,;.62,-43.64,;.63,-45.17,;-.84,-45.66,;-1.31,-47.12,;-.4,-48.37,;1.14,-48.37,;1.92,-49.71,;1.14,-51.04,;1.91,-52.37,;3.46,-52.37,;4.22,-51.03,;5.75,-51.02,;6.52,-49.69,;5.73,-48.36,;6.49,-47.02,;4.21,-48.38,;3.45,-49.7,;-1.31,-49.63,;-2.78,-49.15,;-4.13,-49.92,;-4.13,-51.46,;-5.47,-52.23,;-7,-52.23,;-6.24,-53.57,;-5.46,-49.15,;-6.8,-49.92,;-5.46,-47.6,;-6.8,-46.83,;-4.13,-46.82,;-4.13,-45.28,;-2.78,-47.6,;1.87,-42.73,;1.86,-41.18,;3.28,-43.35,)|
Structure:
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