Ligand name: (4R)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
PDB ligand accession: PQ6
DrugBank: n/a
PubChem: 156906816
ChEMBL: n/a
InChI Key: ILSGMAUMNXSNQB-FQEVSTJZSA-N
SMILES: c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CN
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
7GI2	Download	Experimental	e7gi2A1 e7gi2A2 e7gi2B1 e7gi2A2 e7gi2B1 e7gi2B2	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
7GGX	Download	Experimental	e7ggxA1 e7ggxA2	Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel	LigPlot