Ligand name: N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-[4-(methylsulfanyl)phenyl]acetamide
PDB ligand accession: P6I
DrugBank: n/a
PubChem: 168475483
ChEMBL: n/a
InChI Key: CEQRNFLEHMXIOS-UHFFFAOYSA-N
SMILES: CSc1ccc(cc1)N(Cc2cc(cs2)Cl)C(=O)Cc3cncc4c3cccc4
Drug action: n/a

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
8CYZ	Download	Experimental	e8cyzA1 e8cyzA2 e8cyzC2 e8cyzB1 e8cyzB2 e8cyzD1 e8cyzA1 e8cyzC1 e8cyzC2 e8cyzB1 e8cyzD1 e8cyzD2	cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel cradle loop barrel 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	LigPlot