Ligand name: 2-{6-[(4aS,6R,8aS)-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11(12H)-yl]hexyl}-1 ,2-benzisothiazol-3(2H)-one 1,1-dioxide
PDB ligand accession: G6X
DrugBank: n/a
PubChem: 44543644
ChEMBL: n/a
InChI Key: VAEMEXGGRSPJEF-LOMAHXHCSA-N
SMILES: COc1ccc2c3c1OC4C3(CCN(C2)CCCCCCN5C(=O)c6ccccc6S5(=O)=O)C=CC(C4)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Alkaloids and derivatives
    • Class: Amaryllidaceae alkaloids
      • Subclass: Galanthamine-type amaryllidaceae alkaloids

List of PDB structures and/or AlphaFold models with target protein P04058

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3I6Z	Download	Experimental	e3i6zA1	alpha/beta-Hydrolases	LigPlot