Reaction Details Report a problem with these data
Target
Glutamate racemase
Ligand
BDBM50421054
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
900±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:
BDBM50421054
Synonyms:
CHEMBL2087845
Type:
Small organic molecule
Emp. Form.:
C24H22ClN7O2
Mol. Mass.:
475.93
SMILES:
Cc1[nH]cnc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12 |(-4.07,-11.02,;-2.57,-11.37,;-1.41,-10.36,;-.09,-11.15,;-.44,-12.65,;-1.97,-12.79,;-2.77,-14.1,;-1.86,-15.35,;-.32,-15.35,;.45,-16.68,;-.32,-18.01,;.45,-19.35,;1.99,-19.35,;2.75,-18,;4.28,-17.99,;5.04,-16.67,;4.26,-15.34,;5.02,-14,;2.74,-15.35,;1.99,-16.68,;-2.77,-16.6,;-4.23,-16.12,;-5.56,-16.88,;-5.56,-18.42,;-6.9,-19.19,;-8.44,-19.2,;-7.67,-20.53,;-6.89,-16.12,;-8.23,-16.89,;-6.89,-14.58,;-8.23,-13.81,;-5.56,-13.8,;-5.56,-12.26,;-4.23,-14.58,)|
Structure:
Search PDB for entries with ligand similarity: