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Target
Glutamate racemase
Ligand
BDBM50421065
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
28±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:
BDBM50421065
Synonyms:
CHEMBL2087856
Type:
Small organic molecule
Emp. Form.:
C28H22ClN7O2
Mol. Mass.:
523.973
SMILES:
Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC#C)c(=O)c12)C#N |(-4.86,-12.02,;-3.36,-12.36,;-2.2,-11.35,;-.87,-12.15,;-1.22,-13.65,;-2.76,-13.78,;-3.55,-15.1,;-2.65,-16.34,;-1.11,-16.34,;-.34,-17.68,;-1.11,-19.01,;-.34,-20.34,;1.2,-20.34,;1.97,-18.99,;3.49,-18.99,;4.25,-17.66,;3.48,-16.33,;4.24,-14.99,;1.95,-16.35,;1.2,-17.67,;-3.55,-17.59,;-5.02,-17.11,;-6.35,-17.87,;-6.35,-19.41,;-7.68,-20.18,;-9.22,-20.19,;-8.45,-21.53,;-7.68,-17.11,;-9.01,-17.88,;-7.68,-15.57,;-9.01,-14.81,;-9.02,-13.27,;-9.03,-11.72,;-6.35,-14.79,;-6.35,-13.25,;-5.02,-15.57,;.54,-11.55,;1.95,-10.94,)|
Structure:
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