Ligand name: 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one
PDB ligand accession: TIY
DrugBank: n/a
PubChem: 5281571;135403797;
ChEMBL: CHEMBL66953
InChI Key: WDGFFVCWBZVLCE-UHFFFAOYSA-N
SMILES: c1c2c(c(c(c1O)O)O)C(=O)C(=CC=C2)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Hydrocarbon derivatives
    • Class: Tropones
      • Subclass: Tropolones

List of PDB structures and/or AlphaFold models with target protein P04818

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4G2O	Download	Experimental	e4g2oX1	Thymidylate synthase/dCMP hydroxymethylase	LigPlot
4GD7	Download	Experimental	e4gd7A1	Thymidylate synthase/dCMP hydroxymethylase	LigPlot