Ligand name: diethyl-[6-[[2-[2-[2-[naphthalen-2-ylsulfonyl-[[(3~{R})-1-(phenylmethyl)piperidin-3-yl]methyl]amino]ethoxy]ethoxy]ethylamino]-oxidanyl-methyl]-7-oxidanylidene-1,3,4,4~{a},5,6,8,8~{a}-octahydronaphthalen-2-ylidene]azanium
PDB ligand accession: KJT
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: NSZMSICZTXQEMY-KGDAMGMLSA-N
SMILES: CC[N+](=C1CCC2CC(C(=O)CC2C1)C(NCCOCCOCCN(CC3CCCN(C3)Cc4ccccc4)S(=O)(=O)c5ccc6ccccc6c5)O)CC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Naphthalenes
      • Subclass: Naphthalene sulfonic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein P06276

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6RUA	Download	Experimental	e6ruaB1	alpha/beta-Hydrolases	LigPlot