Ligand name: 1-{4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl}ethan-1-one
PDB ligand accession: T4Y
DrugBank: n/a
PubChem: 52361231
ChEMBL: n/a
InChI Key: ADMDDIGRGVTLSU-UHFFFAOYSA-N
SMILES: Cc1ccccc1CN2CCCN(CC2)C(=O)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Phenylmethylamines

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
5REY	Download	Experimental	e5reyA1 e5reyA2	cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain	LigPlot