Ligand name: 2-(3-chlorophenyl)-N-[6-(dimethylamino)isoquinolin-4-yl]acetamide
PDB ligand accession: RKR
DrugBank: n/a
PubChem: 169408358
ChEMBL: n/a
InChI Key: YDRXFINTBCAEPL-UHFFFAOYSA-N
SMILES: CN(C)c1ccc2cncc(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
7GMK	Download	Experimental	e7gmkA1 e7gmkA2 e7gmkB2 e7gmkA2 e7gmkB1 e7gmkB2	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