Ligand name: 3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-1-ONE
PDB ligand accession: MR2
DrugBank: DB08204
PubChem: 448781
ChEMBL: CHEMBL303950
InChI Key: FLWABCQDXUKNQY-UHFFFAOYSA-N
SMILES: c1cc2c(ccc3c2c(c1)C(=O)OC3(c4ccc(cc4)O)c5ccc(cc5)O)[N+](=O)[O-]
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Naphthalenes
      • Subclass: Nitronaphthalenes

List of PDB structures and/or AlphaFold models with target protein P00469

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1TSM	Download	Experimental	e1tsmA1	Thymidylate synthase/dCMP hydroxymethylase	LigPlot