Ligand name: N-{3-[(4aS,7aS)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide
PDB ligand accession: 3YS
DrugBank: DB12547
PubChem: 49837968
ChEMBL: CHEMBL2396989
InChI Key: NIDRNVHMMDAAIK-YPMLDQLKSA-N
SMILES: c1cc(c(cc1NC(=O)c2ccc(cn2)F)C34COCC3CSC(=N4)N)F
Drug action: n/a

ClassyFire chemical classification:

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

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
4X7I	Download	Experimental	e4x7iA1 e4x7iA2 e4x7iB1 e4x7iB2	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot