Ligand name: (3S,4S,5R)-3-(4-amino-3-bromo-5-fluorobenzyl)-5-{[3-(1,1-difluoroethyl)benzyl]amino}tetrahydro-2H-thiopyran-4-ol 1,1-dioxide
PDB ligand accession: 0GS
DrugBank: n/a
PubChem: 57386813
ChEMBL: CHEMBL2047891
InChI Key: QBRKIXCNLLQOPH-WNYOCNMUSA-N
SMILES: CC(c1cccc(c1)CNC2CS(=O)(=O)CC(C2O)Cc3cc(c(c(c3)Br)N)F)(F)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Phenylmethylamines

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
3VF3	Download	Experimental	e3vf3A2 e3vf3A3	cradle loop barrel cradle loop barrel	LigPlot