Ligand name: 2-(2-CYANOPHENOXY)-5-HEXYLPHENOL
PDB ligand accession: JUS
DrugBank: n/a
PubChem: 71464709
ChEMBL: CHEMBL3360252
InChI Key: RPZKERMNVCALKE-UHFFFAOYSA-N
SMILES: CCCCCCc1ccc(c(c1)O)Oc2ccccc2C#N
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q7A6D8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4BNN	Download	Experimental	e4bnnA2 e4bnnB2 e4bnnC2 e4bnnD2 e4bnnE2 e4bnnF2 e4bnnG2 e4bnnH2	Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like	LigPlot