Ligand name: 2-(3-ethynylphenyl)-N-(isoquinolin-4-yl)acetamide
PDB ligand accession: NO0
DrugBank: n/a
PubChem: 154872925
ChEMBL: n/a
InChI Key: CLLYBOMGFSNDSO-UHFFFAOYSA-N
SMILES: C#Cc1cccc(c1)CC(=O)Nc2cncc3c2cccc3
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
7GEJ	Download	Experimental	e7gejA1 e7gejA2	cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain	LigPlot