Ligand name: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
PDB ligand accession: EPE
DrugBank: DB16872
PubChem: 23830;23831;3275884;
ChEMBL: CHEMBL1232545
InChI Key: JKMHFZQWWAIEOD-UHFFFAOYSA-N
SMILES: C1CN(CCN1CCO)CCS(=O)(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazinanes
      • Subclass: Piperazines

List of PDB structures and/or AlphaFold models with target protein Q97W02

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3KHG	Download	Experimental	e3khgA5 e3khgA6 e3khgA2	Alpha-beta plaits HhH/H2TH Reverse ferredoxin	LigPlot
3RAQ	Download	Experimental	e3raqA5 e3raqB5 e3raqB6	Alpha-beta plaits Alpha-beta plaits HhH/H2TH	LigPlot
3RB3	Download	Experimental	e3rb3A5 e3rb3A6	Alpha-beta plaits HhH/H2TH	LigPlot
3RB6	Download	Experimental	e3rb6A5 e3rb6A6	Alpha-beta plaits HhH/H2TH	LigPlot
3RBD	Download	Experimental	e3rbdA5 e3rbdA6 e3rbdA2	Alpha-beta plaits HhH/H2TH Reverse ferredoxin	LigPlot