Ligand name: 1-methyl-4-(propan-2-yl)cyclohexa-1,4-diene
PDB ligand accession: 9NI
DrugBank: n/a
PubChem: 7461
ChEMBL: CHEMBL449693
InChI Key: YKFLAYDHMOASIY-UHFFFAOYSA-N
SMILES: CC1=CCC(=CC1)C(C)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Hydrocarbons
    • Class: Unsaturated hydrocarbons
      • Subclass: Branched unsaturated hydrocarbons

List of PDB structures and/or AlphaFold models with target protein Q9NAV7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7SJC	Download	Experimental	e7sjcA1 e7sjcB1	Globin-like Globin-like	LigPlot