Ligand name: 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE
PDB ligand accession: EMO
DrugBank: DB07715
PubChem: 3220
ChEMBL: CHEMBL289277
InChI Key: RHMXXJGYXNZAPX-UHFFFAOYSA-N
SMILES: Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Anthracenes
      • Subclass: Anthraquinones

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P68400

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3Q9X	Download	Experimental	e3q9xA2 e3q9xB2	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
3BQC	Download	Experimental	e3bqcA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
3C13	Download	Experimental	e3c13A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
3Q9W	Download	Experimental	e3q9wA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot