Ligand name: (4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone
PDB ligand accession: J8S
DrugBank: n/a
PubChem: 1126109
ChEMBL: CHEMBL1450144
InChI Key: OMGLGPKQUFSRNN-UHFFFAOYSA-N
SMILES: COc1cc(ccc1C(=O)N2CCC(CC2)Cc3ccccc3)SC
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q16539

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6M95	Download	Experimental	e6m95A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot