Ligand name: (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate
PDB ligand accession: 37K
DrugBank: n/a
PubChem: 117072253
ChEMBL: n/a
InChI Key: LMMQNDBBWIKJQS-CNKHDIINSA-N
SMILES: COc1ccc(cc1OC)CCC(c2cccc(c2)OCCN3CCOCC3)OC(=O)C4CCCCN4C(=O)C(c5cc(c(c(c5)OC)OC)OC)C6CCCC=C6
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
4TW7	Download	Experimental	e4tw7A1	FKBP-like	LigPlot
6TXX	Download	Experimental	e6txxA1 e6txxB1	FKBP-like FKBP-like	LigPlot