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 Q8NCC3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4X93	Download	Experimental	e4x93A1 e4x93B1	alpha/beta-Hydrolases alpha/beta-Hydrolases	LigPlot
4X91	Download	Experimental	e4x91A1 e4x91B1 e4x91C1 e4x91D1	alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases	LigPlot
4X94	Download	Experimental	e4x94A1	alpha/beta-Hydrolases	LigPlot
4X97	Download	Experimental	e4x97A1 e4x97B1 e4x97C1 e4x97D1	alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases	LigPlot
4X90	Download	Experimental	e4x90A1 e4x90B1 e4x90C1 e4x90D1	alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases	LigPlot