Ligand name: 2-(3-chlorophenyl)-N-(isoquinolin-4-yl)acetamide
PDB ligand accession: 860
DrugBank: n/a
PubChem: 156596341
ChEMBL: n/a
InChI Key: VFGOVUIYBMUVAD-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)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
7GLP	Download	Experimental	e7glpA1 e7glpA2 e7glpB1	cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel	LigPlot
7GDD	Download	Experimental	e7gddA1 e7gddA2	Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel	LigPlot
7S3S	Download	Experimental	e7s3sA1 e7s3sA2	cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain	LigPlot