Ligand name: 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium
PDB ligand accession: 1S5
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: YALGUPBMXZEXMF-UHFFFAOYSA-O
SMILES: CCCCCCC1=CC(=O)C(=CN1C)Oc2ccc(cc2C)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Ethers

List of PDB structures and/or AlphaFold models with target protein I1WHT9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4BKU	Download	Experimental	e4bkuA1	Rossmann-like	LigPlot