Ki Summary

Reaction Details

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Target

Glutamate racemase

Ligand

BDBM50421088

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_842443 (CHEMBL2092116)

IC50

79±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

BDBM50421088

n/a

Name

BDBM50421088

Synonyms:

CHEMBL2087851

Type

Small organic molecule

Emp. Form.

C26H24ClN7O2

Mol. Mass.

501.967

SMILES

Cn1cncc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C3CC3)c(=O)c12 |(14.08,-41.22,;15.58,-41.57,;16.75,-40.56,;18.07,-41.35,;17.72,-42.85,;16.18,-42.99,;15.39,-44.3,;16.29,-45.55,;17.83,-45.55,;18.6,-46.89,;17.83,-48.21,;18.6,-49.55,;20.14,-49.55,;20.91,-48.2,;22.44,-48.19,;23.2,-46.87,;22.42,-45.54,;23.18,-44.2,;20.89,-45.55,;20.14,-46.88,;15.39,-46.8,;13.92,-46.32,;12.59,-47.08,;12.59,-48.62,;11.26,-49.39,;9.72,-49.4,;10.49,-50.73,;11.26,-46.32,;9.93,-47.09,;11.26,-44.78,;9.93,-44.01,;9.15,-42.69,;8.38,-44.02,;12.59,-44,;12.59,-42.46,;13.92,-44.78,)|

Structure