Ki Summary

Reaction Details

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Target

Glutamate racemase

Ligand

BDBM50421061

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_842443 (CHEMBL2092116)

IC50

170±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

BDBM50421061

n/a

Name

BDBM50421061

Synonyms:

CHEMBL2087852

Type

Small organic molecule

Emp. Form.

C31H31ClN8O3

Mol. Mass.

599.083

SMILES

Cn1cncc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC#CCN3CCOCC3)c(=O)c12 |(33.19,-42.5,;34.69,-42.85,;35.85,-41.84,;37.17,-42.63,;36.83,-44.13,;35.29,-44.27,;34.5,-45.58,;35.4,-46.83,;36.94,-46.83,;37.71,-48.16,;36.94,-49.49,;37.71,-50.83,;39.25,-50.83,;40.02,-49.48,;41.54,-49.47,;42.3,-48.15,;41.53,-46.82,;42.28,-45.48,;40,-46.83,;39.25,-48.16,;34.5,-48.08,;33.03,-47.6,;31.7,-48.36,;31.7,-49.9,;30.37,-50.67,;28.83,-50.68,;29.6,-52.01,;30.37,-47.6,;29.04,-48.37,;30.37,-46.06,;29.04,-45.29,;29.01,-43.75,;29.02,-42.21,;29.03,-40.67,;30.36,-39.91,;31.68,-40.69,;33.02,-39.93,;33.03,-38.39,;31.7,-37.61,;30.36,-38.37,;31.7,-45.28,;31.7,-43.74,;33.03,-46.06,)|

Structure