Target
Glutamate racemase
Ligand
BDBM50421086
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
41±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:
BDBM50421086
Synonyms:
CHEMBL2087620
Type:
Small organic molecule
Emp. Form.:
C24H22ClN7O2
Mol. Mass.:
475.93
SMILES:
Cn1cncc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12 |(-4.9,-12.42,;-3.4,-12.77,;-2.23,-11.76,;-.91,-12.55,;-1.26,-14.05,;-2.79,-14.19,;-3.59,-15.5,;-2.68,-16.75,;-1.14,-16.75,;-.37,-18.08,;-1.15,-19.41,;-.38,-20.74,;1.16,-20.75,;1.93,-19.4,;3.46,-19.39,;4.22,-18.06,;3.44,-16.74,;4.2,-15.4,;1.91,-16.75,;1.16,-18.07,;-3.59,-18,;-5.06,-17.52,;-6.39,-18.28,;-6.39,-19.82,;-7.72,-20.59,;-9.26,-20.6,;-8.49,-21.93,;-7.72,-17.52,;-9.05,-18.29,;-7.72,-15.98,;-9.05,-15.21,;-6.39,-15.2,;-6.39,-13.66,;-5.06,-15.98,)|
Structure:
Search PDB for entries with ligand similarity: