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Target
Glutamate racemase
Ligand
BDBM50421075
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
120±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:
BDBM50421075
Synonyms:
CHEMBL2087866
Type:
Small organic molecule
Emp. Form.:
C32H26ClN9O2
Mol. Mass.:
604.061
SMILES:
Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC#CCn3cccn3)c(=O)c12)C#N |(13.57,2.5,;15.07,2.15,;16.23,3.16,;17.55,2.37,;17.21,.87,;15.67,.73,;14.87,-.58,;15.78,-1.83,;17.32,-1.83,;18.09,-3.16,;17.32,-4.49,;18.09,-5.82,;19.63,-5.83,;20.39,-4.48,;21.92,-4.47,;22.68,-3.14,;21.9,-1.82,;22.66,-.48,;20.38,-1.83,;19.63,-3.16,;14.87,-3.08,;13.41,-2.6,;12.08,-3.36,;12.08,-4.9,;10.74,-5.67,;9.21,-5.68,;9.98,-7.01,;10.75,-2.6,;9.42,-3.37,;10.75,-1.06,;9.41,-.29,;9.41,1.25,;9.4,2.79,;9.38,4.33,;10.71,5.11,;10.85,6.65,;12.35,6.98,;13.13,5.65,;12.11,4.5,;12.08,-.28,;12.08,1.26,;13.41,-1.06,;18.96,2.97,;20.38,3.57,)|
Structure:
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