Ligand name: (4S)-6-chloro-N-(isoquinolin-4-yl)-2-(2-{[(1S)-1-(4-nitrophenyl)ethyl]amino}-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PDB ligand accession: S3X
DrugBank: n/a
PubChem: 169408396
ChEMBL: n/a
InChI Key: NSMAAPODQLIULZ-HFJWLAOPSA-N
SMILES: CC(c1ccc(cc1)[N+](=O)[O-])NC(=O)CN2Cc3ccc(cc3C(C2)C(=O)Nc4cncc5c4cccc5)Cl
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
7GNO	Download	Experimental	e7gnoA1 e7gnoA2 e7gnoB2 e7gnoA1 e7gnoB1 e7gnoB2	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