Ligand name: (1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLI DENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL
PDB ligand accession: VD3
DrugBank: DB00169
PubChem: 6221
ChEMBL: n/a
InChI Key: QYSXJUFSXHHAJI-RWDMXNMGSA-N
SMILES: CC(C)CCCC(C)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
3A50	Download	Experimental	e3a50A1 e3a50B1 e3a50C1 e3a50D1 e3a50E1	Cytochrome P450 Cytochrome P450 Cytochrome P450 Cytochrome P450 Cytochrome P450	LigPlot
3VRM	Download	Experimental	e3vrmA1	Cytochrome P450	LigPlot