Ligand name: 4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol
PDB ligand accession: QEM
DrugBank: n/a
PubChem: 6604887
ChEMBL: CHEMBL305195
InChI Key: WVZSEUPGUDIELE-HTAPYJJXSA-N
SMILES: CC(CN1CCC(CC1)Cc2ccccc2)C(c3ccc(cc3)O)O
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 A7XY94

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4TLM	Download	Experimental	e4tlmA3 e4tlmB1 e4tlmB2 e4tlmD4 e4tlmD5 e4tlmC3	Flavodoxin-like Flavodoxin-like Flavodoxin-like Flavodoxin-like Flavodoxin-like Flavodoxin-like	LigPlot
4TLL	Download	Experimental	e4tllA1 e4tllB1 e4tllB2 e4tllC3 e4tllD4 e4tllD5	Flavodoxin-like Flavodoxin-like Flavodoxin-like Flavodoxin-like Flavodoxin-like Flavodoxin-like	LigPlot
5IOV	Download	Experimental	e5iovA2 e5iovB2 e5iovB5 e5iovC3 e5iovD3 e5iovD5	Flavodoxin-like Flavodoxin-like Flavodoxin-like Flavodoxin-like Flavodoxin-like Flavodoxin-like	LigPlot