Ligand name: 4-[2-(3-chlorophenyl)acetamido]isoquinoline-7-carboxylic acid
PDB ligand accession: RJ3
DrugBank: n/a
PubChem: 169408352
ChEMBL: n/a
InChI Key: OOJDKYAMUUAETB-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2ccc(c3)C(=O)O
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
7GME	Download	Experimental	e7gmeA1 e7gmeA2 e7gmeB2 e7gmeA1 e7gmeA2 e7gmeB1 e7gmeB2	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 Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel	LigPlot