Ligand name: [4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]-(2-pyridin-4-ylpyridin-3-yl)methanone
PDB ligand accession: YBS
DrugBank: DB16987
PubChem: 73437845
ChEMBL: CHEMBL4298172
InChI Key: XKUZMIUSBMCVPP-UHFFFAOYSA-N
SMILES: c1ccc(cc1)CC2(CCN(CC2)C(=O)c3cccnc3c4ccncc4)O
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Piperidines
      • Subclass: Benzylpiperidines

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
7LRL	Download	Experimental	e7lrlA1	Cytochrome P450	LigPlot