Ligand name: 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL
PDB ligand accession: VDY
DrugBank: DB00146
PubChem: 5283731
ChEMBL: CHEMBL1040
InChI Key: JWUBBDSIWDLEOM-DTOXIADCSA-N
SMILES: CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Steroids and steroid derivatives
      • Subclass: Vitamin D and derivatives

List of PDB structures and/or AlphaFold models with target protein C4B644

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3A51	Download	Experimental	e3a51A1 e3a51B1 e3a51C1 e3a51D1 e3a51E1	Cytochrome P450 Cytochrome P450 Cytochrome P450 Cytochrome P450 Cytochrome P450	LigPlot