Ligand name: N-[(4S,4aS,6S,8aR)-10-aminohexahydro-3H-4,8a-(epithiomethenoazeno)isochromen-6(1H)-yl]-3-chlorobenzamide
PDB ligand accession: 4RX
DrugBank: n/a
PubChem: 71714118
ChEMBL: CHEMBL3586136
InChI Key: SLYXQQNGVHPIRQ-CFAJVAMVSA-N
SMILES: c1cc(cc(c1)Cl)C(=O)NC2CCC34COCC(C3C2)SC(=N4)N
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P56817

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4ZSQ	Download	Experimental	e4zsqA1 e4zsqA2 e4zsqB1 e4zsqB2	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot