Ligand name: 4-[2-(3-chlorophenyl)acetamido]isoquinolin-6-yl methanesulfonate
PDB ligand accession: RN0
DrugBank: n/a
PubChem: 169408365
ChEMBL: n/a
InChI Key: QXFKQZYRPVUBJK-UHFFFAOYSA-N
SMILES: CS(=O)(=O)Oc1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)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
7GMR	Download	Experimental	e7gmrA1 e7gmrA2 e7gmrB2 e7gmrA1 e7gmrB1 e7gmrB2	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