Ligand name: 2-(3-chlorophenyl)-N-{6-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}acetamide
PDB ligand accession: RIU
DrugBank: n/a
PubChem: 169408350
ChEMBL: n/a
InChI Key: XNJZKRXHKUJCAT-UHFFFAOYSA-N
SMILES: CN(C)CCOc1ccc2cncc(c2c1)NC(=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
7GMB	Download	Experimental	e7gmbA1 e7gmbA2 e7gmbB2 e7gmbA2 e7gmbB1 e7gmbB2	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 cradle loop barrel	LigPlot