Ligand name: 4-[(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
PDB ligand accession: QEL
DrugBank: n/a
PubChem: 6604117
ChEMBL: CHEMBL49623
InChI Key: UYNVMODNBIQBMV-KKSFZXQISA-N
SMILES: CC(C(c1ccc(cc1)O)O)N2CCC(CC2)Cc3ccccc3
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q00960

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4PE5	Download	Experimental	e4pe5B1 e4pe5B2 e4pe5A3 e4pe5C1 e4pe5D1 e4pe5D3	Flavodoxin-like Flavodoxin-like Flavodoxin-like Flavodoxin-like Flavodoxin-like Flavodoxin-like	LigPlot
3QEL	Download	Experimental	e3qelB1 e3qelB2 e3qelA2 e3qelD1 e3qelD2 e3qelC2	Flavodoxin-like Flavodoxin-like Flavodoxin-like Flavodoxin-like Flavodoxin-like Flavodoxin-like	LigPlot