Ligand name: 1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-piperidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile
PDB ligand accession: S7U
DrugBank: n/a
PubChem: 169408401
ChEMBL: n/a
InChI Key: KBMBYPWORLDFDP-HHHXNRCGSA-N
SMILES: c1ccc2c(c1)cncc2N3CCCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N
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
7GNU	Download	Experimental	e7gnuA1 e7gnuA2 e7gnuB1 e7gnuA1 e7gnuB1 e7gnuB2	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