Ki Summary

Reaction Details

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Target

Glutamate racemase

Ligand

BDBM50421083

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_842443 (CHEMBL2092116)

IC50

250±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

BDBM50421083

n/a

Name

BDBM50421083

Synonyms:

CHEMBL2088118

Type

Small organic molecule

Emp. Form.

C27H23ClN8O2

Mol. Mass.

526.977

SMILES

Cn1cc(nc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC=C)c(=O)c12)C#N |(12.66,-40.8,;14.16,-41.15,;15.32,-40.14,;16.64,-40.93,;16.3,-42.43,;14.76,-42.57,;13.96,-43.88,;14.87,-45.13,;16.41,-45.13,;17.18,-46.47,;16.41,-47.79,;17.18,-49.13,;18.72,-49.13,;19.49,-47.78,;21.01,-47.77,;21.77,-46.45,;20.99,-45.12,;21.75,-43.78,;19.47,-45.14,;18.72,-46.46,;13.96,-46.38,;12.5,-45.9,;11.17,-46.66,;11.17,-48.2,;9.83,-48.97,;8.3,-48.98,;9.07,-50.31,;9.84,-45.9,;8.51,-46.67,;9.84,-44.36,;8.5,-43.59,;8.5,-42.05,;7.16,-41.29,;11.17,-43.58,;11.17,-42.04,;12.5,-44.36,;18.05,-40.33,;19.47,-39.73,)|

Structure