Ligand name: 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE
PDB ligand accession: MIX
DrugBank: DB01204
PubChem: 4212
ChEMBL: CHEMBL58
InChI Key: KKZJGLLVHKMTCM-UHFFFAOYSA-N
SMILES: c1cc(c2c(c1NCCNCCO)C(=O)c3c(ccc(c3C2=O)O)O)NCCNCCO
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P0A5S4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2FUM	Download	Experimental	e2fumA1 e2fumB1 e2fumC1 e2fumD1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot