Ki Summary

Reaction Details

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Target

Glutamate racemase

Ligand

BDBM50421048

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_842443 (CHEMBL2092116)

IC50

220±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

BDBM50421048

n/a

Name

BDBM50421048

Synonyms:

CHEMBL2087626

Type

Small organic molecule

Emp. Form.

C24H22ClN7O2

Mol. Mass.

475.93

SMILES

Cc1c[nH]nc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12 |(-4.59,-40.17,;-3.09,-40.52,;-1.93,-39.51,;-.61,-40.3,;-.96,-41.8,;-2.49,-41.94,;-3.29,-43.25,;-2.38,-44.5,;-.84,-44.5,;-.07,-45.83,;-.84,-47.16,;-.07,-48.49,;1.47,-48.49,;2.23,-47.15,;3.76,-47.14,;4.52,-45.81,;3.74,-44.49,;4.5,-43.15,;2.22,-44.5,;1.46,-45.82,;-3.29,-45.75,;-4.75,-45.27,;-6.08,-46.03,;-6.08,-47.57,;-7.42,-48.34,;-8.96,-48.35,;-8.19,-49.68,;-7.41,-45.27,;-8.74,-46.04,;-7.41,-43.73,;-8.75,-42.96,;-6.08,-42.95,;-6.08,-41.41,;-4.75,-43.73,)|

Structure