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 B5ABY0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4RE4	Download	Experimental	e4re4A1	TIM beta/alpha-barrel	LigPlot
4JIE	Download	Experimental	e4jieA1	TIM beta/alpha-barrel	LigPlot
4RE3	Download	Experimental	e4re3A1	TIM beta/alpha-barrel	LigPlot
4JHO	Download	Experimental	e4jhoA1	TIM beta/alpha-barrel	LigPlot
4RE2	Download	Experimental	e4re2A1	TIM beta/alpha-barrel	LigPlot