Ligand name: 2-(3,5-difluorophenyl)-N-(isoquinolin-4-yl)acetamide
PDB ligand accession: QG3
DrugBank: n/a
PubChem: 156906721
ChEMBL: n/a
InChI Key: RXQWWUHGRJKJHB-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)F)F
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
7GIH	Download	Experimental	e7gihA1 e7gihA2 e7gihB1 e7gihA1 e7gihB1 e7gihB2	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