Ligand name: (1R,3R,7E,17beta)-17-{(2R,6S)-6-hydroxy-6-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hex-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
PDB ligand accession: TKA
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: RDOXAQMJPJCGHT-KJUWVWBVSA-N
SMILES: CC(CC#CC(C12CC3CC(C1)CC(C3)C2)O)C4CCC5C4(CCCC5=CC=C6CC(C(=C)C(C6)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 TKA

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P13053_TKA	P13053	n/a