Ligand name: (1'P,3'S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-pyrrolidine]-2',5'-dione
PDB ligand accession: QM3
DrugBank: n/a
PubChem: 169408276
ChEMBL: n/a
InChI Key: QOLVOMOIQPMUFC-NRFANRHFSA-N
SMILES: c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CCOc5c4cc(cc5)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Isoquinolines and derivatives
      • Subclass: None

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
7GL9	Download	Experimental	e7gl9A1 e7gl9A2 e7gl9B2 e7gl9A1 e7gl9B1 e7gl9B2	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
7GJC	Download	Experimental	e7gjcA1 e7gjcA2 e7gjcB1 e7gjcA2 e7gjcB1 e7gjcB2	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