Ligand name: (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S,3R)-2-cyclohexyl-3-hydroxybutanoyl]piperidine-2-carboxylate
PDB ligand accession: 5B8
DrugBank: n/a
PubChem: 91936975
ChEMBL: CHEMBL3623623
InChI Key: RUPZPRKPEAFHDB-JEPHQYQUSA-N
SMILES: CC(C(C1CCCCC1)C(=O)N2CCCCC2C(=O)OC(CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCCN5CCOCC5)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Linear 1,3-diarylpropanoids
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q13451

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5DIT	Download	Experimental	e5ditA1	FKBP-like	LigPlot