Ligand name: (2S)-2-({[(3S,4aR,8aS)-2-(4-bromobenzoyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal
PDB ligand accession: 3A7
DrugBank: n/a
PubChem: 90478331
ChEMBL: CHEMBL3402618
InChI Key: SKLHMRHVVDDIOX-UBBRYJJRSA-N
SMILES: c1cc(ccc1C(=O)N2CC3CCCCC3CC2CNC(Cc4cnc[nH]4)C=O)Br
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
4TWW	Download	Experimental	e4twwA1 e4twwA2 e4twwB2 e4twwA1 e4twwB1 e4twwB2	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