Reaction Details Report a problem with these data
Target
Glutamate racemase
Ligand
BDBM50421079
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
670±n/a nM
Citation
 Basarab, GS; Hill, P; Eyermann, CJ; Gowravaram, M; Käck, H; Osimoni, 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:
BDBM50421079
Synonyms:
CHEMBL2088114
Type:
Small organic molecule
Emp. Form.:
C29H25ClN10O2
Mol. Mass.:
581.028
SMILES:
Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CCn3ccnn3)c(=O)c12)C#N |(-3.21,-26.99,;-1.71,-27.33,;-.55,-26.32,;.77,-27.12,;.43,-28.62,;-1.11,-28.75,;-1.9,-30.07,;-1,-31.31,;.54,-31.31,;1.31,-32.65,;.54,-33.98,;1.31,-35.31,;2.85,-35.31,;3.62,-33.96,;5.14,-33.96,;5.9,-32.63,;5.13,-31.31,;5.88,-29.97,;3.6,-31.32,;2.85,-32.64,;-1.9,-32.56,;-3.37,-32.09,;-4.7,-32.85,;-4.7,-34.39,;-6.03,-35.15,;-7.57,-35.16,;-6.8,-36.5,;-6.03,-32.08,;-7.36,-32.86,;-6.03,-30.54,;-7.36,-29.78,;-7.37,-28.24,;-8.7,-27.47,;-10.12,-28.1,;-11.15,-26.96,;-10.39,-25.62,;-8.88,-25.94,;-4.7,-29.77,;-4.7,-28.23,;-3.37,-30.54,;2.19,-26.52,;3.6,-25.92,)|
Structure:
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