Ligand name: N-benzyl-N,N-diethylethanaminium
PDB ligand accession: BTM
DrugBank: n/a
PubChem: 17208
ChEMBL: CHEMBL1231492
InChI Key: VBQDSLGFSUGBBE-UHFFFAOYSA-N
SMILES: CC[N+](CC)(CC)Cc1ccccc1
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Phenylmethylamines

List of PDB structures and/or AlphaFold models with target protein I1S104

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8H4P	Download	Experimental	e8h4pA1 e8h4pB1	Terpenoid synthases Terpenoid synthases	LigPlot