Ligand name: (4S)-2-{2-[(1,3-benzothiazol-5-yl)amino]-2-oxoethyl}-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PDB ligand accession: S39
DrugBank: n/a
PubChem: 169408395
ChEMBL: n/a
InChI Key: QLTJDOSMDPTNNG-HSZRJFAPSA-N
SMILES: c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)CC(=O)Nc5ccc6c(c5)ncs6
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
7GNN	Download	Experimental	e7gnnA1 e7gnnA2 e7gnnB1 e7gnnA1 e7gnnB1 e7gnnB2	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