Target
Glutamate racemase
Ligand
BDBM50421085
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
120±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:
BDBM50421085
Synonyms:
CHEMBL2088120
Type:
Small organic molecule
Emp. Form.:
C25H26N6O2
Mol. Mass.:
442.5129
SMILES:
CC(C)Cn1c2nn(Cc3cccc4ccccc34)c(-c3cncn3C)c2c(=O)n(C)c1=O |(10.35,-3,;11.12,-1.67,;10.35,-.34,;12.66,-1.67,;13.43,-.33,;14.97,-.33,;16,-1.47,;17.41,-.84,;18.74,-1.6,;18.75,-3.14,;17.42,-3.91,;17.42,-5.46,;18.75,-6.23,;20.09,-5.45,;21.42,-6.22,;22.76,-5.44,;22.75,-3.89,;21.41,-3.13,;20.08,-3.91,;17.24,.69,;18.46,1.62,;19.94,1.17,;20.82,2.43,;19.9,3.66,;18.44,3.16,;17.18,4.05,;15.73,1.01,;14.97,2.33,;15.74,3.66,;13.43,2.34,;12.67,3.67,;12.66,1,;11.12,1.01,)|
Structure:
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