Ligand name: 9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine
PDB ligand accession: S8T
DrugBank: n/a
PubChem: 69188417
ChEMBL: n/a
InChI Key: QEZUZXXLBLAREJ-UHFFFAOYSA-N
SMILES: CC(C)c1ccc2c(c1)CCc3ccc(cc3S2)F
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 P0DTD1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7AY7	Download	Experimental	e7ay7A1 e7ay7A2	Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel	LigPlot