Ligand name: (1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4, 3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE
PDB ligand accession: KWT
DrugBank: DB08059
PubChem: 312145
ChEMBL: CHEMBL428496
InChI Key: QDLHCMPXEPAAMD-QAIWCSMKSA-N
SMILES: CC(=O)OC1CC2(C(CCC2=O)C3=C1C4(c5c(coc5C3=O)C(=O)OC4COC)C)C

ClassyFire chemical classification:

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

List of proteins that are targets for DB08059

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	Q4KMI8_KWT	Q4KMI8	n/a
2	O02697_KWT	O02697	n/a
3	P27986_KWT	P27986	n/a	IC50(nM) = 1.2
4	P53350_KWT	P53350	n/a	Ki(nM) = 1500.0 IC50(nM) = 5.8
5	P42336_KWT	P42336	n/a	Ki(nM) = 120.0 IC50(nM) = 1.0 Kd(nM) = 5.4
6	P48736_KWT	P48736	inhibitor	IC50(nM) = 5.0 Kd(nM) = 15.0