Ki Summary

Reaction Details

Report a problem with these data

Target

Glutamate racemase

Ligand

BDBM50421058

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_842443 (CHEMBL2092116)

IC50

63±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 Lett22:5600-7 (2012) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Glutamate racemase

Name:

Glutamate racemase

Synonyms:

MURI_HELPJ | glr | murI

Type:

PROTEIN

Mol. Mass.:

28499.39

Organism:

Helicobacter pylori J99

Description:

ChEMBL_842443

Residue:

255

Sequence:

MKIGVFDSGVGGFSVLKSLLKARLFDEIIYYGDSARVPYGTKDPTTIKQFGLEALDFFKP
HEIELLIVACNTASALALEEMQKYSKIPIVGVIEPSILAIKRQVEDKNAPILVLGTKATI
QSNAYDNALKQQGYLNISHLATSLFVPLIEESILEGELLETCMHYYFTPLEILPEVIILG
CTHFPLIAQKIEGYFMGHFALPTPPLLIHSGDAIVEYLQQKYALKNNACTFPKVEFHASG
DVIWLERQAKEWLKL

BDBM50421058

n/a

Name

BDBM50421058

Synonyms:

CHEMBL2087848

Type

Small organic molecule

Emp. Form.

C27H24ClN7O2

Mol. Mass.

513.978

SMILES

CC#CCn1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3cncn3C)c2c1=O |(9.77,-25.41,;9.78,-26.95,;9.8,-28.49,;9.8,-30.03,;11.14,-30.8,;11.14,-32.34,;9.81,-33.11,;12.47,-33.1,;12.47,-34.64,;11.13,-35.41,;9.59,-35.42,;10.36,-36.75,;13.8,-32.34,;15.26,-32.82,;16.17,-31.57,;17.71,-31.57,;18.48,-32.9,;17.71,-34.23,;18.48,-35.57,;20.02,-35.57,;20.78,-34.22,;22.31,-34.21,;23.07,-32.89,;22.29,-31.56,;23.05,-30.22,;20.77,-31.57,;20.01,-32.9,;15.26,-30.32,;16.06,-29.01,;17.59,-28.87,;17.94,-27.37,;16.62,-26.58,;15.46,-27.59,;13.96,-27.24,;13.8,-30.8,;12.47,-30.02,;12.47,-28.48,)|

Structure