Reaction Details Report a problem with these data
Target
Glutamate racemase
Ligand
BDBM50421062
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
220±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:
BDBM50421062
Synonyms:
CHEMBL2087853
Type:
Small organic molecule
Emp. Form.:
C26H26ClN7O2
Mol. Mass.:
503.983
SMILES:
CC(C)n1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3cncn3C)c2c1=O |(-7.2,2.23,;-7.19,.69,;-8.53,-.09,;-5.86,-.08,;-5.86,-1.62,;-7.19,-2.39,;-4.53,-2.38,;-4.53,-3.92,;-5.86,-4.69,;-7.4,-4.7,;-6.63,-6.03,;-3.2,-1.62,;-1.73,-2.1,;-.83,-.85,;.71,-.85,;1.48,-2.18,;.71,-3.51,;1.48,-4.85,;3.02,-4.85,;3.79,-3.5,;5.32,-3.49,;6.08,-2.16,;5.3,-.84,;6.06,.5,;3.77,-.85,;3.02,-2.18,;-1.73,.4,;-.94,1.71,;.6,1.85,;.95,3.35,;-.38,4.14,;-1.54,3.13,;-3.04,3.48,;-3.2,-.08,;-4.53,.7,;-4.53,2.24,)|
Structure:
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