Ki Summary

Reaction Details

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Target

Glutamate racemase

Ligand

BDBM50262113

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_514356 (CHEMBL967970)

IC50

23±n/a nM

Citation

Basarab, GS; Hill, PJ; Rastagar, A; Webborn, PJ Design of Helicobacter pylori glutamate racemase inhibitors as selective antibacterial agents: a novel pro-drug approach to increase exposure. Bioorg Med Chem Lett18:4716-22 (2008) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Glutamate racemase

Name:

Glutamate racemase

Synonyms:

MURI_HELPY | glr | murI

Type:

PROTEIN

Mol. Mass.:

28413.39

Organism:

Helicobacter pylori

Description:

ChEMBL_475324

Residue:

255

Sequence:

MKIGVFDSGVGGFSVLKSLLKAQLFDEIIYYGDSARVPYGTKDPTTIKQFGLEALDFFKP
HQIKLLIVACNTASALALEEMQKHSKIPVVGVIEPSILAIKRQVKDKNAPILVLGTKATI
QSNAYDNALKQQGYLNVSHLATSLFVPLIEESILEGELLETCMRYYFTPLEILPEVVILG
CTHFPLIAQKIEGYFMEHFALSTPPLLIHSGDAIVEYLQQNYALKKNACAFPKVEFHASG
DVVWLEKQAKEWLKL

BDBM50262113

n/a

Name

BDBM50262113

Synonyms:

2-((5-chloro-1H-indol-3-yl)methyl)-7-(cyclopropylmethyl)-5-methyl-3-(1-methyl-4-(methylsulfinyl)-1H-pyrrol-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione | CHEMBL469065

Type

Small organic molecule

Emp. Form.

C25H25ClN6O3S

Mol. Mass.

525.022

SMILES

Cn1cc(cc1-c1n(Cc2c[nH]c3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(C)=O |(20.02,-45.88,;21.56,-45.88,;22.46,-44.63,;23.92,-45.1,;23.92,-46.64,;22.46,-47.12,;21.99,-48.58,;22.9,-49.83,;24.44,-49.83,;25.21,-51.17,;24.59,-52.57,;25.74,-53.6,;27.06,-52.83,;28.52,-53.3,;29.67,-52.28,;29.34,-50.77,;30.48,-49.74,;27.88,-50.3,;26.75,-51.33,;21.99,-51.09,;20.51,-50.61,;19.17,-51.38,;19.17,-52.92,;17.83,-53.68,;16.3,-53.69,;17.07,-55.02,;17.84,-50.61,;16.51,-51.38,;17.84,-49.06,;16.5,-48.29,;19.17,-48.28,;19.17,-46.74,;20.51,-49.06,;25.16,-44.19,;25.15,-42.65,;26.57,-44.81,)|

Structure