Ki Summary

Reaction Details

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Target

Glutamate racemase

Ligand

BDBM50421072

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_842443 (CHEMBL2092116)

IC50

74±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

BDBM50421072

n/a

Name

BDBM50421072

Synonyms:

CHEMBL2087863

Type

Small organic molecule

Emp. Form.

C29H24ClN7O2

Mol. Mass.

538

SMILES

CC#CCn1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3cc(cn3C)C#N)c2c1=O |(10.14,-38.47,;10.15,-40.01,;10.16,-41.56,;10.17,-43.1,;11.5,-43.86,;11.5,-45.4,;10.17,-46.17,;12.83,-46.16,;12.83,-47.7,;11.5,-48.47,;9.96,-48.48,;10.73,-49.82,;14.16,-45.4,;15.63,-45.88,;16.54,-44.63,;18.08,-44.63,;18.85,-45.97,;18.07,-47.3,;18.84,-48.63,;20.38,-48.63,;21.15,-47.28,;22.68,-47.28,;23.44,-45.95,;22.66,-44.62,;23.42,-43.28,;21.13,-44.64,;20.38,-45.96,;15.63,-43.39,;16.43,-42.07,;17.96,-41.94,;18.31,-40.44,;16.99,-39.64,;15.82,-40.65,;14.32,-40.31,;19.72,-39.84,;21.14,-39.23,;14.16,-43.86,;12.83,-43.08,;12.83,-41.54,)|

Structure