Reaction Details Report a problem with these data
Target
Glutamate racemase
Ligand
BDBM50421044
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
60±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:
BDBM50421044
Synonyms:
CHEMBL2087622
Type:
Small organic molecule
Emp. Form.:
C26H21ClN6O3
Mol. Mass.:
500.936
SMILES:
Cc1cc(oc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)C#N |(31.68,-12.9,;33.19,-13.24,;34.35,-12.23,;35.67,-13.02,;35.32,-14.53,;33.79,-14.66,;32.99,-15.98,;33.9,-17.22,;35.44,-17.22,;36.21,-18.56,;35.43,-19.89,;36.2,-21.22,;37.75,-21.22,;38.51,-19.87,;40.04,-19.87,;40.8,-18.54,;40.02,-17.21,;40.78,-15.87,;38.49,-17.23,;37.74,-18.55,;32.99,-18.47,;31.52,-17.99,;30.19,-18.75,;30.19,-20.29,;28.86,-21.06,;27.32,-21.07,;28.09,-22.4,;28.87,-17.99,;27.53,-18.76,;28.87,-16.45,;27.53,-15.69,;30.19,-15.67,;30.19,-14.13,;31.52,-16.45,;37.08,-12.42,;38.5,-11.82,)|
Structure:
Search PDB for entries with ligand similarity: