Ligand name: 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE
PDB ligand accession: AES
DrugBank: DB07347
PubChem: 1701
ChEMBL: CHEMBL1096339
InChI Key: MGSKVZWGBWPBTF-UHFFFAOYSA-N
SMILES: c1cc(ccc1CCN)S(=O)(=O)F
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q8T6B1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2B4T	Download	Experimental	e2b4tO1 e2b4tO2 e2b4tP1 e2b4tP2 e2b4tR1 e2b4tR2	FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like	LigPlot
2B4R	Download	Experimental	e2b4rO1 e2b4rO2 e2b4rP1 e2b4rP2 e2b4rR1 e2b4rR2	FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like	LigPlot