Target
Glutamate racemase
Ligand
BDBM50421064
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
13±n/a nM
Citation
 Basarab, GSHill, PEyermann, CJGowravaram, MKäck, HOsimoni, 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:
BDBM50421064
Synonyms:
CHEMBL2087855
Type:
Small organic molecule
Emp. Form.:
C31H25ClN10O2
Mol. Mass.:
605.049
SMILES:
Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC#CCn3cncn3)c(=O)c12)C#N |(34.36,2.12,;35.86,1.77,;37.02,2.78,;38.34,1.99,;38,.49,;36.46,.35,;35.67,-.96,;36.57,-2.21,;38.11,-2.21,;38.88,-3.54,;38.11,-4.87,;38.88,-6.21,;40.42,-6.21,;41.19,-4.86,;42.71,-4.85,;43.47,-3.53,;42.7,-2.2,;43.45,-.86,;41.17,-2.21,;40.42,-3.54,;35.67,-3.46,;34.2,-2.98,;32.87,-3.74,;32.87,-5.28,;31.54,-6.05,;30,-6.06,;30.77,-7.39,;31.54,-2.98,;30.21,-3.75,;31.54,-1.44,;30.21,-.67,;30.2,.87,;30.19,2.41,;30.18,3.95,;31.5,4.73,;32.91,4.12,;33.93,5.27,;33.15,6.6,;31.64,6.27,;32.87,-.66,;32.87,.88,;34.2,-1.44,;39.76,2.59,;41.17,3.19,)|
Structure:
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