Ligand name: 1,2-dihydroxy-3-(piperazine-1-sulfonyl)anthracene-9,10-dione
PDB ligand accession: I9N
DrugBank: n/a
PubChem: 162678541
ChEMBL: CHEMBL5204170
InChI Key: LUICJQQAUHLELI-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)N4CCNCC4
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 Q16716

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5SCK	Download	Experimental	e5sckB2 e5sckC2 e5sckE2 e5sckF1 e5sckG2	TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot