Ligand name: TOLRESTAT
PDB ligand accession: TOL
DrugBank: DB02383
PubChem: 53359
ChEMBL: CHEMBL436
InChI Key: LUBHDINQXIHVLS-UHFFFAOYSA-N
SMILES: CN(CC(=O)O)C(=S)c1cccc2c1ccc(c2C(F)(F)F)OC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Naphthalenes
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P50578

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1AE4	Download	Experimental	e1ae4A1	TIM beta/alpha-barrel	LigPlot