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 Q0ED31

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4YDL	Download	Experimental	e4ydlG1 e4ydlG2 e4ydlA1 e4ydlA2 e4ydlA2	Ribosomal protein L31e-like gp120 inner domain Ribosomal protein L31e-like gp120 inner domain gp120 inner domain	LigPlot
4DKU	Download	Experimental	e4dkuA2 e4dkuB2	gp120 inner domain gp120 inner domain	LigPlot
4DKP	Download	Experimental	e4dkpA2 e4dkpC2	gp120 inner domain gp120 inner domain	LigPlot
4DKR	Download	Experimental	e4dkrA2 e4dkrC1	gp120 inner domain gp120 inner domain	LigPlot
4DKO	Download	Experimental	e4dkoA1 e4dkoC1	gp120 inner domain gp120 inner domain	LigPlot
4JPV	Download	Experimental	e4jpvG2	gp120 inner domain	LigPlot
4DKQ	Download	Experimental	e4dkqA2	gp120 inner domain	LigPlot
4P9H	Download	Experimental	e4p9hG1	Ribosomal protein L31e-like	LigPlot
4DKV	Download	Experimental	e4dkvA1 e4dkvB2	gp120 inner domain gp120 inner domain	LigPlot
4RZ8	Download	Experimental	e4rz8A2 e4rz8A1 e4rz8A2 e4rz8B1 e4rz8C1 e4rz8D2	gp120 inner domain Ribosomal protein L31e-like gp120 inner domain gp120 inner domain gp120 inner domain gp120 inner domain	LigPlot
3TGT	Download	Experimental	e3tgtA2	gp120 inner domain	LigPlot
4LSU	Download	Experimental	e4lsuG1	Ribosomal protein L31e-like	LigPlot
4JPW	Download	Experimental	e4jpwG1	Ribosomal protein L31e-like	LigPlot
4I54	Download	Experimental	e4i54A2 e4i54B2	gp120 inner domain gp120 inner domain	LigPlot