Ligand name: (5-methyl-2-pyridin-4-yl-phenyl)-[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]methanone
PDB ligand accession: YCJ
DrugBank: n/a
PubChem: 86680843
ChEMBL: CHEMBL5276973
InChI Key: SUPCEIFGZKXNGG-UHFFFAOYSA-N
SMILES: Cc1ccc(c(c1)C(=O)N2CCC(CC2)(Cc3ccccc3)O)c4ccncc4
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 Q9Y6A2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7LS3	Download	Experimental	e7ls3A1	Cytochrome P450	LigPlot