Ligand name: (2S,9S,12R,20Z)-2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-28,31-dimethoxy-11,18,23,26-tetraoxa-4-azatetracyclo[25.2.2.113,17.04,9]dotriaconta-1(29),13(32),14,16,20,27,30-heptaene-3,10-dione
PDB ligand accession: R3E
DrugBank: n/a
PubChem: 155817649
ChEMBL: CHEMBL4860544
InChI Key: MDPYBQRKSBXYSJ-QCXYFFPESA-N
SMILES: COc1ccc(cc1OC)CCC2c3cccc(c3)OCC=CCOCCOc4c(cc(cc4OC)C(C(=O)N5CCCCC5C(=O)O2)C6CCCCC6)OC
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 Q13451

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7A6W	Download	Experimental	e7a6wAAA1 e7a6wBBB1 e7a6wAAA1	FKBP-like FKBP-like FKBP-like	LigPlot