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Target
Glutamate racemase
Ligand
BDBM50421076
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
160±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:
BDBM50421076
Synonyms:
CHEMBL2087867
Type:
Small organic molecule
Emp. Form.:
C29H24ClN7O2
Mol. Mass.:
538
SMILES:
CC(C#C)n1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3cc(cn3C)C#N)c2c1=O |(29.34,1.4,;29.35,-.14,;28.02,-.91,;26.68,-1.67,;30.69,-.9,;30.69,-2.44,;29.35,-3.21,;32.01,-3.2,;32.01,-4.74,;30.68,-5.51,;29.14,-5.52,;29.91,-6.86,;33.34,-2.44,;34.81,-2.92,;35.72,-1.67,;37.26,-1.67,;38.03,-3.01,;37.25,-4.34,;38.02,-5.67,;39.57,-5.67,;40.33,-4.32,;41.86,-4.32,;42.62,-2.99,;41.84,-1.66,;42.6,-.32,;40.31,-1.68,;39.56,-3,;34.81,-.43,;35.61,.89,;37.14,1.02,;37.49,2.52,;36.17,3.32,;35,2.31,;33.5,2.65,;38.9,3.12,;40.32,3.73,;33.34,-.9,;32.01,-.12,;32.01,1.42,)|
Structure:
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