BDBM50283578 (3R,4R,5R)-5-Carboxymethoxy-4-hydroxy-3-phosphonooxy-cyclohex-1-enecarboxylic acid; trisodium salt::CHEMBL88396
SMILES: O[C@@H]1[C@@H](CC(=C[C@H]1OP(O)([O-])=O)C([O-])=O)OCC([O-])=O
InChI Key: InChIKey=XNFMEARKEBLVHT-ATRFCDNQSA-K
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12)) | BDBM50283578 ((3R,4R,5R)-5-Carboxymethoxy-4-hydroxy-3-phosphonoo...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of Escherichia coli EPSP synthase | Bioorg Med Chem Lett 4: 2605-2608 (1994) Article DOI: 10.1016/S0960-894X(01)80293-6 BindingDB Entry DOI: 10.7270/Q25M666T | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12)) | BDBM50283578 ((3R,4R,5R)-5-Carboxymethoxy-4-hydroxy-3-phosphonoo...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of Escherichia coli EPSP synthase | Bioorg Med Chem Lett 4: 2605-2608 (1994) Article DOI: 10.1016/S0960-894X(01)80293-6 BindingDB Entry DOI: 10.7270/Q25M666T | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |