Ligand name: N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)acetamide
PDB ligand accession: P5X
DrugBank: n/a
PubChem: 168475482
ChEMBL: n/a
InChI Key: VADPVOZBGIXSAG-UHFFFAOYSA-N
SMILES: CN(C)c1ccc(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
8CYU	Download	Experimental	e8cyuB1 e8cyuA1 e8cyuA2 e8cyuB1 e8cyuB2 e8cyuA1 e8cyuC1 e8cyuC2 e8cyuD2 e8cyuC1 e8cyuD1 e8cyuD2	cradle loop barrel cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain 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	LigPlot