Ligand name: methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
PDB ligand accession: 3VL
DrugBank: DB19070
PubChem: 149755;86289436;
ChEMBL: CHEMBL3040622
InChI Key: LJZPVWKMAYDYAS-QKKPTTNWSA-N
SMILES: CCC1(CC(c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)C1C(=O)OC)OC5CC(C(C(O5)C)O)N(C)C)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 Q06528

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7OWB	Download	Experimental	e7owbA1	Rossmann-like	LigPlot
4WXH	Download	Experimental	e4wxhB2 e4wxhA2 e4wxhB1 e4wxhA1 e4wxhA2	HTH Rossmann-like Rossmann-like HTH Rossmann-like	LigPlot
7OY1	Download	Experimental	e7oy1A1 e7oy1B2 e7oy1A1 e7oy1A2 e7oy1B1	Rossmann-like HTH Rossmann-like HTH Rossmann-like	LigPlot
7PHD	Download	Experimental	e7phdA1 e7phdB1	Rossmann-like Rossmann-like	LigPlot