Ligand name: (1S,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: 1YU
DrugBank: n/a
PubChem: 71664592
ChEMBL: CHEMBL2425609
InChI Key: SVZBUJIOBQPGEC-DAMLKHMOSA-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
4LXM	Download	Experimental	e4lxmA2 e4lxmA3 e4lxmB2 e4lxmB3 e4lxmC2 e4lxmC3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot