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 P96112

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1J9K	Download	Experimental	e1j9kA1 e1j9kB1	SurE-like/CoA-transferase family III (CaiB/BaiF) SurE-like/CoA-transferase family III (CaiB/BaiF)	LigPlot
1J9L	Download	Experimental	e1j9lB1	SurE-like/CoA-transferase family III (CaiB/BaiF)	LigPlot