Ligand name: N-(2-cyclohexylethyl)-2-(isoquinolin-4-yl)-N-[(thiophen-2-yl)methyl]acetamide
PDB ligand accession: OYX
DrugBank: n/a
PubChem: 156906978
ChEMBL: n/a
InChI Key: COUGPWQMAYMVGH-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)cncc2CC(=O)N(CCC3CCCCC3)Cc4cccs4
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
7GGK	Download	Experimental	e7ggkA1 e7ggkA2	Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel	LigPlot
7GHQ	Download	Experimental	e7ghqA1 e7ghqA2 e7ghqB1 e7ghqA2 e7ghqB1 e7ghqB2	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