Ligand name: N-(4-tert-butylphenyl)-N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)acetamide
PDB ligand accession: P6R
DrugBank: n/a
PubChem: 168475484
ChEMBL: n/a
InChI Key: VAAIHZIVXKAKRN-UHFFFAOYSA-N
SMILES: CC(C)(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
8CZ4	Download	Experimental	e8cz4A1 e8cz4A2 e8cz4C1 e8cz4B1 e8cz4B2 e8cz4D2 e8cz4A2 e8cz4C1 e8cz4C2 e8cz4B2 e8cz4D1 e8cz4D2	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 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	LigPlot