Ligand name: 2-(5-{[({3-[(1R)-1-[({(2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetyl)amino]methyl}-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
PDB ligand accession: 37M
DrugBank: n/a
PubChem: 137348128
ChEMBL: n/a
InChI Key: VYEGSGNDADHBPR-OQAOPSLVSA-N
SMILES: COc1ccc(cc1OC)CCC(c2cccc(c2)OCC(=O)NCc3c(ccc4c3OC5=CC(=O)C=CC5=C4c6ccccc6C(=O)O)O)OC(=O)C7CCCCN7C(=O)C(c8cc(c(c(c8)OC)OC)OC)C9CCCC=C9
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 Q02790

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4TW8	Download	Experimental	e4tw8A1 e4tw8B1	FKBP-like FKBP-like	LigPlot