Ligand name: (17BETA)-17-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE
PDB ligand accession: R18
DrugBank: DB02998
PubChem: 261000
ChEMBL: CHEMBL166444
InChI Key: CCCIJQPRIXGQOE-XWSJACJDSA-N
SMILES: CC1(CCC2C1(C=CC3=C4CCC(=O)C=C4CCC23)C)O

ClassyFire chemical classification:

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

List of proteins that are targets for R18

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P08235_R18	P08235	n/a	Ki(nM) = 0.54
2	P07288_R18	P07288	activator
3	P10275_R18	P10275	activator	Ki(nM) = 0.4 IC50(nM) = 0.302 Kd(nM) = 0.52 EC50(nM) = 0.013
4	Q15596_R18	Q15596	n/a
5	P06401_R18	P06401	inhibitor	Ki(nM) = 0.49