BDBM50281341 (3R,4S,5R)-5-(1-carboxyethenyloxy)-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid::5-O-(1-carboxyvinyl)-3-phosphoshikimic acid::CHEMBL317037
SMILES: O[C@H]1[C@@H](CC(=C[C@H]1OP(O)(O)=O)C(O)=O)OC(=C)C(O)=O
InChI Key: InChIKey=QUTYKIXIUDQOLK-PRJMDXOYSA-N
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 |
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5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12)) | BDBM50281341![]() ((3R,4S,5R)-5-(1-carboxyethenyloxy)-4-hydroxy-3-(ph...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars | Article | n/a | n/a | n/a | 1.00E+3 | 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)) | BDBM50281341![]() ((3R,4S,5R)-5-(1-carboxyethenyloxy)-4-hydroxy-3-(ph...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars | Article | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description The compound was tested for the inhibition of E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase (EPSP). | Bioorg Med Chem Lett 3: 2857-2862 (1993) Article DOI: 10.1016/S0960-894X(01)80779-4 BindingDB Entry DOI: 10.7270/Q2SX6D43 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (docked) |