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Target
Glutamate racemase
Ligand
BDBM50421080
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
89±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:
BDBM50421080
Synonyms:
CHEMBL2088115
Type:
Small organic molecule
Emp. Form.:
C27H21ClN8O2
Mol. Mass.:
524.961
SMILES:
Cn1cc(nc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC#C)c(=O)c12)C#N |(12.9,-27.98,;14.4,-28.32,;15.56,-27.31,;16.88,-28.11,;16.54,-29.61,;15,-29.74,;14.2,-31.06,;15.11,-32.3,;16.65,-32.3,;17.42,-33.64,;16.65,-34.97,;17.42,-36.3,;18.96,-36.3,;19.73,-34.95,;21.25,-34.95,;22.01,-33.62,;21.23,-32.3,;21.99,-30.96,;19.71,-32.31,;18.96,-33.63,;14.21,-33.55,;12.74,-33.08,;11.41,-33.84,;11.41,-35.38,;10.07,-36.15,;8.54,-36.15,;9.31,-37.49,;10.08,-33.07,;8.75,-33.85,;10.08,-31.53,;8.74,-30.77,;8.74,-29.23,;8.73,-27.68,;11.41,-30.76,;11.41,-29.22,;12.74,-31.53,;18.29,-27.51,;19.71,-26.91,)|
Structure:
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