Ligand name: (3R,4S,5R)-5-{[(1R)-1-CARBOXY-2-FLUORO-1-(PHOSPHONOOXY)ETHYL]OXY}-4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC ACID
PDB ligand accession: SPQ
DrugBank: n/a
PubChem: 5289393
ChEMBL: n/a
InChI Key: HTMVUWTXBMZROV-JQCUSGDOSA-N
SMILES: C1C(C(C(C=C1C(=O)O)OP(=O)(O)O)O)OC(CF)(C(=O)O)OP(=O)(O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Organic phosphoric acids and derivatives
      • Subclass: Phosphate esters

List of PDB structures and/or AlphaFold models with target protein Q9S400

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1RF4	Download	Experimental	e1rf4A1 e1rf4A2 e1rf4B1 e1rf4B2 e1rf4C1 e1rf4C2 e1rf4D1 e1rf4D2	IF3-like IF3-like IF3-like IF3-like IF3-like IF3-like IF3-like IF3-like	LigPlot