Ligand name: 2-(3-chlorophenyl)-N-(isoquinolin-4-yl)-N-methylacetamide
PDB ligand accession: NUR
DrugBank: n/a
PubChem: 154873551
ChEMBL: n/a
InChI Key: XFUDGCDECOIROA-UHFFFAOYSA-N
SMILES: CN(c1cncc2c1cccc2)C(=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
7GES	Download	Experimental	e7gesA1 e7gesA2	cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain	LigPlot