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Target
Glutamate racemase
Ligand
BDBM50421052
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
740±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:
BDBM50421052
Synonyms:
CHEMBL2087843
Type:
Small organic molecule
Emp. Form.:
C24H22ClN7O2S
Mol. Mass.:
507.995
SMILES:
Cc1nc(N)sc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12 |(13.51,4.25,;15.02,3.9,;16.18,4.91,;17.5,4.12,;18.92,4.72,;17.15,2.62,;15.62,2.48,;14.82,1.17,;15.73,-.08,;17.27,-.08,;18.04,-1.41,;17.27,-2.74,;18.03,-4.07,;19.58,-4.08,;20.34,-2.73,;21.87,-2.72,;22.63,-1.39,;21.85,-.07,;22.61,1.27,;20.33,-.08,;19.57,-1.41,;14.82,-1.33,;13.35,-.85,;12.02,-1.61,;12.02,-3.15,;10.69,-3.92,;9.15,-3.93,;9.92,-5.26,;10.7,-.85,;9.36,-1.62,;10.7,.69,;9.36,1.46,;12.02,1.47,;12.02,3.01,;13.35,.69,)|
Structure:
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