Ligand name: 3-(3,4,5-trimethoxyphenyl)propyl (2S)-1-(benzylsulfonyl)piperidine-2-carboxylate
PDB ligand accession: 861
DrugBank: n/a
PubChem: 44338501
ChEMBL: CHEMBL109278
InChI Key: WUVVOAPMLQTLBJ-NRFANRHFSA-N
SMILES: COc1cc(cc(c1OC)OC)CCCOC(=O)C2CCCCN2S(=O)(=O)Cc3ccccc3
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of PDB structures and/or AlphaFold models with target protein Q12306

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4G50	Download	Experimental	e4g50A1 e4g50B1	FKBP-like FKBP-like	LigPlot
4GGQ	Download	Experimental	e4ggqC1 e4ggqA1 e4ggqB1 e4ggqD2	FKBP-like FKBP-like FKBP-like FKBP-like	LigPlot