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Target
Glutamate racemase
Ligand
BDBM50261964
Substrate
n/a
Meas. Tech.
ChEMBL_514356 (CHEMBL967970)
IC50
38±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:
BDBM50261964
Synonyms:
2-(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)-1-methyl-1H-imidazole-4-sulfonamide | CHEMBL466771
Type:
Small organic molecule
Emp. Form.:
C23H23ClN8O4S
Mol. Mass.:
542.998
SMILES:
Cn1cc(nc1-c1n(Cc2c[nH]c3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(N)(=O)=O |(-4.37,-43.05,;-2.83,-43.05,;-1.93,-41.81,;-.47,-42.28,;-.47,-43.81,;-1.93,-44.3,;-2.4,-45.76,;-1.49,-47.01,;.05,-47.01,;.82,-48.34,;.2,-49.75,;1.34,-50.78,;2.67,-50.01,;4.13,-50.48,;5.27,-49.45,;4.95,-47.95,;6.09,-46.91,;3.49,-47.48,;2.36,-48.5,;-2.4,-48.27,;-3.88,-47.79,;-5.22,-48.55,;-5.22,-50.09,;-6.56,-50.86,;-8.09,-50.86,;-7.33,-52.2,;-6.55,-47.78,;-7.89,-48.55,;-6.55,-46.24,;-7.89,-45.47,;-5.22,-45.46,;-5.22,-43.92,;-3.88,-46.24,;.77,-41.37,;2.1,-40.59,;-.07,-40.08,;1.62,-42.65,)|
Structure:
Search PDB for entries with ligand similarity: