Target
Glutamate racemase
Ligand
BDBM50421050
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
260±n/a nM
Citation
 Basarab, GSHill, PEyermann, CJGowravaram, MKäck, HOsimoni, E Design of inhibitors of Helicobacter pylori glutamate racemase as selective antibacterial agents: incorporation of imidazoles onto a core pyrazolopyrimidinedione scaffold to improve bioavailabilty. Bioorg Med Chem Lett 22:5600-7 (2012) [PubMed]  Article 
Target
Name:
Glutamate racemase
Synonyms:
MURI_HELPJ | glr | murI
Type:
PROTEIN
Mol. Mass.:
28499.39
Organism:
Helicobacter pylori J99
Description:
ChEMBL_842443
Residue:
255
Sequence:
MKIGVFDSGVGGFSVLKSLLKARLFDEIIYYGDSARVPYGTKDPTTIKQFGLEALDFFKPHEIELLIVACNTASALALEEMQKYSKIPIVGVIEPSILAIKRQVEDKNAPILVLGTKATIQSNAYDNALKQQGYLNISHLATSLFVPLIEESILEGELLETCMHYYFTPLEILPEVIILGCTHFPLIAQKIEGYFMGHFALPTPPLLIHSGDAIVEYLQQKYALKNNACTFPKVEFHASGDVIWLERQAKEWLKL
  
Inhibitor
Name:
BDBM50421050
Synonyms:
CHEMBL2087841
Type:
Small organic molecule
Emp. Form.:
C25H25ClN6O2
Mol. Mass.:
476.958
SMILES:
CC(C)Cn1c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3cccn3C)c2c(=O)n(C)c1=O |(27.59,-46.96,;28.92,-47.73,;28.91,-49.26,;30.26,-46.96,;30.26,-45.42,;31.59,-44.66,;33.05,-45.14,;33.96,-43.89,;35.5,-43.89,;36.27,-45.22,;35.5,-46.55,;36.27,-47.89,;37.81,-47.89,;38.57,-46.54,;40.1,-46.53,;40.86,-45.21,;40.08,-43.88,;40.84,-42.54,;38.56,-43.89,;37.81,-45.22,;33.05,-42.64,;33.85,-41.33,;35.38,-41.19,;35.73,-39.69,;34.41,-38.9,;33.25,-39.91,;31.75,-39.56,;31.59,-43.12,;30.26,-42.34,;30.26,-40.8,;28.93,-43.12,;27.59,-42.35,;28.93,-44.66,;27.59,-45.43,)|
Structure:
Search PDB for entries with ligand similarity: