Ligand name: 2-[4-(HYDROXY-METHOXY-METHYL)-BENZYL]-7-(4-HYDROXYMETHYL-BENZYL)-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-1LAMBDA6-[1,2,7]THIADIAZEPANE-4,5-DIOL
PDB ligand accession: AHF
DrugBank: DB04042
PubChem: 17753826
ChEMBL: n/a
InChI Key: XLJNZONSWKENRP-VABIIVNOSA-N
SMILES: COC(c1ccc(cc1)CN2C(C(C(C(N(S2(=O)=O)Cc3ccc(cc3)CO)COc4ccccc4)O)O)COc5ccccc5)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzylethers

List of PDB structures and/or AlphaFold models with target protein P03368

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1G35	Download	Experimental	e1g35B1 e1g35A1	cradle loop barrel cradle loop barrel	LigPlot