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Target
Glutamate racemase
Ligand
BDBM50421072
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
74±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 (strain J99 / ATCC 700824) (Campylobacter pylori J99)
Description:
ChEMBL_842443
Residue:
255
Sequence:
MKIGVFDSGVGGFSVLKSLLKARLFDEIIYYGDSARVPYGTKDPTTIKQFGLEALDFFKPHEIELLIVACNTASALALEEMQKYSKIPIVGVIEPSILAIKRQVEDKNAPILVLGTKATIQSNAYDNALKQQGYLNISHLATSLFVPLIEESILEGELLETCMHYYFTPLEILPEVIILGCTHFPLIAQKIEGYFMGHFALPTPPLLIHSGDAIVEYLQQKYALKNNACTFPKVEFHASGDVIWLERQAKEWLKL
  
Inhibitor
Name:
BDBM50421072
Synonyms:
CHEMBL2087863
Type:
Small organic molecule
Emp. Form.:
C29H24ClN7O2
Mol. Mass.:
538
SMILES:
CC#CCn1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3cc(cn3C)C#N)c2c1=O |(10.14,-38.47,;10.15,-40.01,;10.16,-41.56,;10.17,-43.1,;11.5,-43.86,;11.5,-45.4,;10.17,-46.17,;12.83,-46.16,;12.83,-47.7,;11.5,-48.47,;9.96,-48.48,;10.73,-49.82,;14.16,-45.4,;15.63,-45.88,;16.54,-44.63,;18.08,-44.63,;18.85,-45.97,;18.07,-47.3,;18.84,-48.63,;20.38,-48.63,;21.15,-47.28,;22.68,-47.28,;23.44,-45.95,;22.66,-44.62,;23.42,-43.28,;21.13,-44.64,;20.38,-45.96,;15.63,-43.39,;16.43,-42.07,;17.96,-41.94,;18.31,-40.44,;16.99,-39.64,;15.82,-40.65,;14.32,-40.31,;19.72,-39.84,;21.14,-39.23,;14.16,-43.86,;12.83,-43.08,;12.83,-41.54,)|
Structure:
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