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Target
Glutamate racemase
Ligand
BDBM50421077
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
240±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:
BDBM50421077
Synonyms:
CHEMBL2087868
Type:
Small organic molecule
Emp. Form.:
C28H26ClN7O2
Mol. Mass.:
528.005
SMILES:
CC(C)n1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3cc(cn3C)C#N)c2c1=O |(-9.09,-13.47,;-9.08,-15.01,;-10.42,-15.78,;-7.75,-15.78,;-7.75,-17.32,;-9.08,-18.09,;-6.42,-18.08,;-6.42,-19.62,;-7.75,-20.39,;-9.29,-20.39,;-8.52,-21.73,;-5.09,-17.32,;-3.62,-17.79,;-2.72,-16.55,;-1.18,-16.55,;-.41,-17.88,;-1.18,-19.21,;-.41,-20.54,;1.13,-20.54,;1.9,-19.2,;3.43,-19.19,;4.19,-17.86,;3.41,-16.54,;4.17,-15.2,;1.88,-16.55,;1.13,-17.87,;-3.62,-15.3,;-2.83,-13.98,;-1.29,-13.85,;-.94,-12.35,;-2.27,-11.56,;-3.43,-12.57,;-4.93,-12.22,;.47,-11.75,;1.88,-11.15,;-5.09,-15.78,;-6.42,-15,;-6.42,-13.46,)|
Structure:
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