Ligand name: 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL
PDB ligand accession: VDX
DrugBank: DB00136
PubChem: 5280453
ChEMBL: CHEMBL846
InChI Key: GMRQFYUYWCNGIN-NKMMMXOESA-N
SMILES: CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C

ClassyFire chemical classification:

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

List of proteins that are targets for DB00136

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	Q7ZZY9_VDX	Q7ZZY9	n/a
2	P11473_VDX	P11473	agonist	IC50(nM) = 0.04 Kd(nM) = 0.065 EC50(nM) = 0.01
3	P18326_VDX	P18326	n/a
4	P13053_VDX	P13053	n/a	Ki(nM) = 0.04 EC50(nM) = 0.05
5	Q9PTN2_VDX	Q9PTN2	n/a	Kd(nM) = 1200.0 EC50(nM) = 5.5