Ligand name: Baloxavir acid
PDB ligand accession: E4Z
DrugBank: DB15675
PubChem: 124081876
ChEMBL: CHEMBL4297215
InChI Key: FIDLLEYNNRGVFR-CTNGQTDRSA-N
SMILES: c1ccc2c(c1)C(c3ccc(c(c3CS2)F)F)N4C5COCCN5C(=O)C6=C(C(=O)C=CN64)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzothiepins
      • Subclass: Dibenzothiepins

List of PDB structures and/or AlphaFold models with target protein C3W5S0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6FS6	Download	Experimental	e6fs6A1 e6fs6B1 e6fs6E1 e6fs6A1 e6fs6B1 e6fs6C1 e6fs6C1 e6fs6E1 e6fs6D1 e6fs6F1	Restriction endonuclease-like Restriction endonuclease-like Restriction endonuclease-like Restriction endonuclease-like Restriction endonuclease-like Restriction endonuclease-like Restriction endonuclease-like Restriction endonuclease-like Restriction endonuclease-like Restriction endonuclease-like	LigPlot
6FS7	Download	Experimental	e6fs7B1 e6fs7A1 e6fs7D1 e6fs7B1 e6fs7C1 e6fs7B1 e6fs7C1 e6fs7D1 e6fs7A1 e6fs7D1 e6fs7E1 e6fs7F1	Restriction endonuclease-like Restriction endonuclease-like Restriction endonuclease-like Restriction endonuclease-like Restriction endonuclease-like Restriction endonuclease-like Restriction endonuclease-like Restriction endonuclease-like Restriction endonuclease-like Restriction endonuclease-like Restriction endonuclease-like Restriction endonuclease-like	LigPlot
7K0W	Download	Experimental	e7k0wA1	Restriction endonuclease-like	LigPlot