Reaction Details Report a problem with these data
Target
Glutamate racemase
Ligand
BDBM50421063
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
460±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:
BDBM50421063
Synonyms:
CHEMBL2087854
Type:
Small organic molecule
Emp. Form.:
C27H24ClN7O2
Mol. Mass.:
513.978
SMILES:
CC(C#C)n1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3cncn3C)c2c1=O |(12.68,3.01,;12.68,1.47,;11.35,.7,;10.01,-.06,;14.02,.71,;14.02,-.83,;12.68,-1.6,;15.34,-1.59,;15.34,-3.13,;14.01,-3.9,;12.47,-3.91,;13.24,-5.24,;16.67,-.83,;18.14,-1.31,;19.05,-.06,;20.59,-.06,;21.36,-1.4,;20.58,-2.73,;21.35,-4.06,;22.89,-4.06,;23.66,-2.71,;25.19,-2.71,;25.95,-1.38,;25.17,-.05,;25.93,1.29,;23.64,-.07,;22.89,-1.39,;18.14,1.18,;18.94,2.5,;20.47,2.63,;20.82,4.13,;19.5,4.93,;18.34,3.92,;16.83,4.26,;16.67,.71,;15.34,1.49,;15.34,3.03,)|
Structure:
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