Ligand name: (5R,6R)-5-BENZYL-6-HYDROXY-2,4-BIS(4-HYDROXY-3-METHOXYBENZYL)-1-[3-(4-HYDROXYPHENYL)PROPANOYL]-1,2,4-TRIAZEPAN-3-ONE
PDB ligand accession: AAU
DrugBank: n/a
PubChem: 5287594
ChEMBL: CHEMBL444621
InChI Key: LSKQYQOZDSRURR-QLWXXVCSSA-N
SMILES: COc1cc(ccc1O)CN2C(C(CN(N(C2=O)Cc3ccc(c(c3)OC)O)C(=O)CCc4ccc(cc4)O)O)Cc5ccccc5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Phenols
      • Subclass: Methoxyphenols

List of PDB structures and/or AlphaFold models with target protein Q9Q2G8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2A4F	Download	Experimental	e2a4fB1 e2a4fA1	cradle loop barrel cradle loop barrel	LigPlot