Ligand name: (4S)-6-chloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide
PDB ligand accession: PJ6
DrugBank: n/a
PubChem: 156906260
ChEMBL: n/a
InChI Key: FRAUGLSYTUOOAF-FQEVSTJZSA-N
SMILES: COC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Isoquinolines and derivatives
      • Subclass: None

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
7GJ3	Download	Experimental	e7gj3A1 e7gj3A2 e7gj3B1 e7gj3A2 e7gj3B1 e7gj3B2	Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain	LigPlot
7GI1	Download	Experimental	e7gi1A1 e7gi1A2 e7gi1B1 e7gi1A1 e7gi1B1 e7gi1B2	cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel cradle loop barrel cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain	LigPlot
7GGU	Download	Experimental	e7gguA1 e7gguA2	cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain	LigPlot