Target
Glutamate racemase
Ligand
BDBM50421082
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
180±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:
BDBM50421082
Synonyms:
CHEMBL2088117
Type:
Small organic molecule
Emp. Form.:
C26H23ClN8O2
Mol. Mass.:
514.966
SMILES:
CCn1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3nc(cn3C)C#N)c2c1=O |(-8.79,-41.77,;-8.79,-43.31,;-7.45,-44.08,;-7.45,-45.62,;-8.78,-46.39,;-6.12,-46.38,;-6.12,-47.92,;-7.46,-48.69,;-9,-48.7,;-8.23,-50.03,;-4.79,-45.62,;-3.33,-46.1,;-2.42,-44.85,;-.88,-44.85,;-.11,-46.19,;-.88,-47.51,;-.11,-48.85,;1.43,-48.85,;2.19,-47.5,;3.72,-47.49,;4.48,-46.17,;3.7,-44.84,;4.46,-43.5,;2.18,-44.86,;1.43,-46.18,;-3.33,-43.6,;-2.53,-42.29,;-1,-42.15,;-.65,-40.65,;-1.97,-39.86,;-3.13,-40.87,;-4.63,-40.52,;.76,-40.05,;2.18,-39.45,;-4.79,-44.08,;-6.12,-43.3,;-6.12,-41.76,)|
Structure:
Search PDB for entries with ligand similarity: