Reaction Details Report a problem with these data
Target
Glutamate racemase
Ligand
BDBM50261912
Substrate
n/a
Meas. Tech.
ChEMBL_514356 (CHEMBL967970)
IC50
51±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:
BDBM50261912
Synonyms:
2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropylmethyl)-5-methyl-3-(2-methyl-5-(methylsulfonyl)furan-3-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione | CHEMBL469008
Type:
Small organic molecule
Emp. Form.:
C26H24ClN5O5S
Mol. Mass.:
554.017
SMILES:
Cc1oc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(C)(=O)=O |(-3.85,-28.84,;-2.31,-28.84,;-1.41,-27.59,;.05,-28.06,;.05,-29.6,;-1.41,-30.08,;-1.88,-31.55,;-.97,-32.8,;.57,-32.8,;1.34,-34.14,;.57,-35.47,;1.34,-36.8,;2.88,-36.8,;3.65,-35.46,;5.18,-35.45,;5.94,-34.12,;5.16,-32.79,;5.92,-31.45,;3.63,-32.8,;2.88,-34.13,;-1.88,-34.06,;-3.36,-33.58,;-4.7,-34.34,;-4.7,-35.89,;-6.04,-36.65,;-7.58,-36.66,;-6.81,-37.99,;-6.04,-33.57,;-7.37,-34.34,;-6.04,-32.02,;-7.37,-31.26,;-4.7,-31.25,;-4.7,-29.7,;-3.36,-32.02,;1.29,-27.15,;2.62,-26.37,;.45,-25.87,;2.14,-28.44,)|
Structure:
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