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 O06644

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2VJO	Download	Experimental	e2vjoA1 e2vjoB1	SurE-like/CoA-transferase family III (CaiB/BaiF) SurE-like/CoA-transferase family III (CaiB/BaiF)	LigPlot
2VJM	Download	Experimental	e2vjmA1 e2vjmB1	SurE-like/CoA-transferase family III (CaiB/BaiF) SurE-like/CoA-transferase family III (CaiB/BaiF)	LigPlot
2VJQ	Download	Experimental	e2vjqA1 e2vjqB1 e2vjqC1 e2vjqD1	SurE-like/CoA-transferase family III (CaiB/BaiF) SurE-like/CoA-transferase family III (CaiB/BaiF) SurE-like/CoA-transferase family III (CaiB/BaiF) SurE-like/CoA-transferase family III (CaiB/BaiF)	LigPlot
2VJN	Download	Experimental	e2vjnA1 e2vjnB1	SurE-like/CoA-transferase family III (CaiB/BaiF) SurE-like/CoA-transferase family III (CaiB/BaiF)	LigPlot