Reaction Details Report a problem with these data
Target
Glutamate racemase
Ligand
BDBM50421066
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
51±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:
BDBM50421066
Synonyms:
CHEMBL2087857
Type:
Small organic molecule
Emp. Form.:
C33H31ClN8O3
Mol. Mass.:
623.104
SMILES:
Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC#CCN3CCOCC3)c(=O)c12)C#N |(14.03,-12.75,;15.53,-13.09,;16.69,-12.08,;18.01,-12.88,;17.66,-14.38,;16.13,-14.51,;15.33,-15.83,;16.24,-17.07,;17.78,-17.07,;18.55,-18.41,;17.78,-19.74,;18.55,-21.07,;20.09,-21.07,;20.85,-19.72,;22.38,-19.72,;23.14,-18.39,;22.36,-17.07,;23.12,-15.73,;20.84,-17.08,;20.09,-18.4,;15.33,-18.32,;13.87,-17.85,;12.54,-18.61,;12.54,-20.15,;11.2,-20.92,;9.66,-20.92,;10.43,-22.26,;11.21,-17.84,;9.88,-18.62,;11.21,-16.3,;9.87,-15.54,;9.87,-14,;9.86,-12.45,;9.84,-10.91,;11.17,-10.13,;12.5,-10.9,;13.82,-10.13,;13.82,-8.58,;12.48,-7.82,;11.14,-8.6,;12.54,-15.53,;12.54,-13.99,;13.87,-16.3,;19.42,-12.28,;20.84,-11.68,)|
Structure:
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