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Target
Glutamate racemase
Ligand
BDBM50421060
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
72±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:
BDBM50421060
Synonyms:
CHEMBL2087850
Type:
Small organic molecule
Emp. Form.:
C25H24ClN7O2
Mol. Mass.:
489.957
SMILES:
CCn1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3cncn3C)c2c1=O |(-8.44,-41.43,;-8.44,-42.97,;-7.1,-43.74,;-7.1,-45.28,;-8.43,-46.05,;-5.77,-46.04,;-5.77,-47.58,;-7.11,-48.35,;-8.65,-48.36,;-7.88,-49.69,;-4.44,-45.28,;-2.98,-45.76,;-2.07,-44.51,;-.53,-44.51,;.24,-45.84,;-.53,-47.17,;.24,-48.51,;1.78,-48.51,;2.54,-47.16,;4.07,-47.15,;4.83,-45.83,;4.05,-44.5,;4.81,-43.16,;2.53,-44.51,;1.78,-45.84,;-2.98,-43.26,;-2.18,-41.95,;-.65,-41.81,;-.3,-40.31,;-1.62,-39.52,;-2.78,-40.53,;-4.28,-40.18,;-4.44,-43.74,;-5.77,-42.96,;-5.77,-41.42,)|
Structure:
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