Ligand name: (2R,4S)-4-[(5-bromo-1H-indole-3-carbonyl)amino]-2-[(4-chlorophenyl)methyl]piperidin-1-ium
PDB ligand accession: EWS
DrugBank: n/a
PubChem: 134812652
ChEMBL: n/a
InChI Key: GGXKHDYKPGTZBA-DLBZAZTESA-O
SMILES: c1cc(ccc1CC2CC(CC[NH2+]2)NC(=O)c3c[nH]c4c3cc(cc4)Br)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Piperidines
      • Subclass: Benzylpiperidines

List of PDB structures and/or AlphaFold models with target protein P01116

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6CC9	Download	Experimental	e6cc9B1	P-loop domains-like	LigPlot
6CCX	Download	Experimental	e6ccxB1	P-loop domains-like	LigPlot