Ligand name: (1R,3S,4S,5R)-3-{4-amino-3-fluoro-5-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1-oxide
PDB ligand accession: 1YS
DrugBank: n/a
PubChem: 71664591
ChEMBL: CHEMBL2425608
InChI Key: SVZBUJIOBQPGEC-UDLQCLCKSA-N
SMILES: CC(C)(C)c1cccc(c1)CNC2CS(=O)CC(C2O)Cc3cc(c(c(c3)F)N)OC(C(F)(F)F)C(F)(F)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Phenol ethers
      • Subclass: Aminophenyl ethers

List of PDB structures and/or AlphaFold models with target protein P56817

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4LXA	Download	Experimental	e4lxaA2 e4lxaA3 e4lxaB2 e4lxaB3 e4lxaC2 e4lxaC3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot