Ligand name: (4S)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PDB ligand accession: QNU
DrugBank: n/a
PubChem: 156906351
ChEMBL: n/a
InChI Key: SYSIIGBRVBHDHN-QGZVFWFLSA-N
SMILES: c1ccc2c(c1)cncc2NC(=O)C3CNCc4c3cc(cc4)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

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
7GJH	Download	Experimental	e7gjhA1 e7gjhA2 e7gjhB1 e7gjhA2 e7gjhB1 e7gjhB2	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	LigPlot
7GJX	Download	Experimental	e7gjxA1 e7gjxA2 e7gjxB1	cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel	LigPlot