Ligand name: (4R)-6-chloro-N-(isoquinolin-4-yl)-N-propanoyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide
PDB ligand accession: Q0I
DrugBank: n/a
PubChem: 169452769
ChEMBL: n/a
InChI Key: ODIAOSOAUUATBH-QGZVFWFLSA-N
SMILES: CCC(=O)N(c1cncc2c1cccc2)C(=O)C3CCOc4c3cc(cc4)Cl
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
7GI3	Download	Experimental	e7gi3A1 e7gi3A2 e7gi3B1 e7gi3A2 e7gi3B1 e7gi3B2	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
7GH2	Download	Experimental	e7gh2A1 e7gh2A2	Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel	LigPlot
7GJ7	Download	Experimental	e7gj7A1 e7gj7A2 e7gj7B1 e7gj7A1 e7gj7B1 e7gj7B2	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