Ligand name: DOXORUBICIN
PDB ligand accession: DM2
DrugBank: DB00997
PubChem: 31703
ChEMBL: CHEMBL53463
InChI Key: AOJJSUZBOXZQNB-TZSSRYMLSA-N
SMILES: CC1C(C(CC(O1)OC2CC(Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Anthracyclines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P31224

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4DX7	Download	Experimental	e4dx7A10 e4dx7A11 e4dx7A12 e4dx7A14 e4dx7A2 e4dx7B12 e4dx7B13 e4dx7B15	Multidrug efflux transporter AcrB transmembrane domain Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits	LigPlot
2DR6	Download	Experimental	e2dr6A12 e2dr6A13 e2dr6A15	Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits	LigPlot