Target
Glutamate racemase
Ligand
BDBM50261911
Substrate
n/a
Meas. Tech.
ChEMBL_514356 (CHEMBL967970)
IC50
59±n/a nM
Citation
 Basarab, GSHill, PJRastagar, AWebborn, 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:
BDBM50261911
Synonyms:
3-(3-chloro-5-(methylsulfonyl)furan-2-yl)-2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropylmethyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione | CHEMBL469007
Type:
Small organic molecule
Emp. Form.:
C25H21Cl2N5O5S
Mol. Mass.:
574.436
SMILES:
Cn1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3oc(cc3Cl)S(C)(=O)=O)c2c1=O |(15.9,-13.52,;17.24,-14.28,;17.24,-15.83,;15.9,-16.6,;18.57,-16.6,;18.57,-18.15,;17.23,-18.91,;15.7,-18.92,;16.46,-20.25,;19.92,-15.84,;21.39,-16.31,;22.3,-15.06,;23.85,-15.06,;24.62,-16.39,;23.84,-17.73,;24.61,-19.06,;26.16,-19.06,;26.92,-17.71,;28.46,-17.71,;29.22,-16.38,;28.44,-15.05,;29.2,-13.71,;26.91,-15.06,;26.15,-16.39,;21.39,-13.8,;21.86,-12.34,;23.33,-11.86,;23.32,-10.32,;21.86,-9.85,;20.96,-11.1,;19.42,-11.1,;24.57,-9.41,;25.89,-8.63,;23.72,-8.12,;25.42,-10.7,;19.92,-14.28,;18.57,-13.5,;18.57,-11.96,)|
Structure:
Search PDB for entries with ligand similarity: