Ligand name: (2S)-2-({[(3S,4aR,8aS)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal
PDB ligand accession: 3BL
DrugBank: n/a
PubChem: 118729211
ChEMBL: CHEMBL3402614
InChI Key: VZCULZJNALRGNB-CZJMETBBSA-N
SMILES: c1ccc(cc1)c2ccc(cc2)C(=O)N3CC4CCCCC4CC3CNC(Cc5cnc[nH]5)C=O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Isoquinolines and derivatives
      • Subclass: Benzylisoquinolines

List of PDB structures and/or AlphaFold models with target protein P0C6X7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4TWY	Download	Experimental	e4twyA1 e4twyA2	Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel	LigPlot