Ligand name: (4S)-6,8-difluoro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide
PDB ligand accession: QP6
DrugBank: n/a
PubChem: 156906412
ChEMBL: n/a
InChI Key: RMXNRMBUTBCRQX-FQEVSTJZSA-N
SMILES: COC1(CCOc2c1cc(cc2F)F)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
7GJN	Download	Experimental	e7gjnA1 e7gjnA2 e7gjnB1 e7gjnA1 e7gjnB1 e7gjnB2	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
7GJV	Download	Experimental	e7gjvA1 e7gjvA2 e7gjvB1 e7gjvA2 e7gjvB1 e7gjvB2	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