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

ClassyFire chemical classification:

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

List of proteins that are targets for TOL

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P14550_TOL	P14550	n/a	IC50(nM) = 65.0
2	P15121_TOL	P15121	inhibitor	IC50(nM) = 1.0
3	P50578_TOL	P50578	n/a	IC50(nM) = 540.0
4	Q9X265_TOL	Q9X265	n/a
5	O60218_TOL	O60218	n/a	Ki(nM) = 50.0 IC50(nM) = 1.2
6	Q5U031_TOL	Q5U031	n/a
7	P80276_TOL	P80276	n/a	IC50(nM) = 15.0