Ligand name: (3S,4S,5R)-3-(4-amino-3-{[(2R)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy}-5-fluorobenzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide
PDB ligand accession: BXD
DrugBank: n/a
PubChem: 44625397
ChEMBL: CHEMBL2048051
InChI Key: UJZFSYZNJMWXJO-NJONLQHESA-N
SMILES: CCOCC(C(F)(F)F)Oc1cc(cc(c1N)F)CC2CS(=O)(=O)CC(C2O)NCc3cccc(c3)C(C)(C)C
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
4D8C	Download	Experimental	e4d8cA2 e4d8cA3 e4d8cB2 e4d8cB3 e4d8cC2 e4d8cC3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot
4D89	Download	Experimental	e4d89A2 e4d89A3	cradle loop barrel cradle loop barrel	LigPlot