Ligand name: N-(isoquinolin-4-yl)-2-(3-methylphenyl)acetamide
PDB ligand accession: QEX
DrugBank: n/a
PubChem: 156906719
ChEMBL: n/a
InChI Key: VGTLCIFBGULFDX-UHFFFAOYSA-N
SMILES: Cc1cccc(c1)CC(=O)Nc2cncc3c2cccc3
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
7GIC	Download	Experimental	e7gicA1 e7gicA2 e7gicB2 e7gicA1 e7gicB1 e7gicB2	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