BDBM150805 Sodium N-methylphosphate-1-O-methyl-4-O-benzyl-beta-D-glucosamine (15a)
SMILES: [Na+].CO[C@@H]1OC(CO)[C@@H](OCc2ccccc2)C(O)[C@@H]1NP(C)([O-])=O
InChI Key: InChIKey=YFNJPBDPIGTYFU-FWJBWGTRSA-M
Data: 2 KI
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Peptidoglycan de-N-acetylase (PgdA) (Streptococcus pneumoniae (Firmicutes)) | BDBM150805 (Sodium N-methylphosphate-1-O-methyl-4-O-benzyl-bet...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.70E+5 | -5.14 | n/a | n/a | n/a | n/a | n/a | 7.0 | 25 |
University of Toronto | Assay Description In a standard optimized reaction, SpPgdA was added to a microcentrifuge tube and incubated at 30 °C for 5 min. Chitotriose was added as a substrate t... | Chembiochem 16: 1350-6 (2015) Article DOI: 10.1002/cbic.201500091 BindingDB Entry DOI: 10.7270/Q21N7ZTG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
PNAG de-N-acetylase (PgaB) (Escherichia coli (Enterobacteria)) | BDBM150805 (Sodium N-methylphosphate-1-O-methyl-4-O-benzyl-bet...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Toronto | Assay Description Reactions were carried out in solutions (50 µL) containing PgaB (10 µM) in HEPES (100 mM, pH 7.5), and varying concentrations of ACC (0.05-10 mM) at ... | Chembiochem 16: 1350-6 (2015) Article DOI: 10.1002/cbic.201500091 BindingDB Entry DOI: 10.7270/Q21N7ZTG | |||||||||||
More data for this Ligand-Target Pair |