Ligand name: 2-(5-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide
PDB ligand accession: QE3
DrugBank: n/a
PubChem: 156906729
ChEMBL: n/a
InChI Key: RMUFMFDOQHTPNN-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)cncc2NC(=O)Cc3ccc(cn3)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
7GIA	Download	Experimental	e7giaA1 e7giaA2 e7giaB1 e7giaA2 e7giaB1 e7giaB2	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