Ligand name: (2S,9S,12R)-2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-24,27-dimethoxy-11,18,22-trioxa-4-azatetracyclo[21.2.2.113,17.04,9]octacosa-1(25),13(28),14,16,23,26-hexaene-3,10-dione
PDB ligand accession: R3B
DrugBank: n/a
PubChem: 155817650
ChEMBL: CHEMBL4848201
InChI Key: YSZSLPRWNYBWRS-LSFNHRITSA-N
SMILES: COc1ccc(cc1OC)CCC2c3cccc(c3)OCCCOc4c(cc(cc4OC)C(C(=O)N5CCCCC5C(=O)O2)C6CCCCC6)OC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Macrolide lactams
      • 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
7A6X	Download	Experimental	e7a6xAAA1	FKBP-like	LigPlot