Ligand name: ESTRADIOL
PDB ligand accession: EST
DrugBank: DB00783
PubChem: 5757
ChEMBL: CHEMBL135
InChI Key: VOXZDWNPVJITMN-ZBRFXRBCSA-N
SMILES: CC12CCC3c4ccc(cc4CCC3C1CCC2O)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 DB00783

#	DrugDomain Data	UniProt Accession	Protein name	Drug Action	Affinity data
1	Q62986_EST	Q62986	Estrogen receptor beta	n/a	IC50(nM) = 1.7 EC50(nM) = 0.14
2	Q99527_EST	Q99527	G-protein coupled estrogen	binder	Ki(nM) = 5.7 EC50(nM) = 0.3
3	P49891_EST	P49891	Sulfotransferase 1E1 (ST1E1)	n/a
4	Q14457_EST	Q14457	Beclin-1 (Coiled-coil myosin-like	binder
5	Q92731_EST	Q92731	Estrogen receptor beta	agonist	Ki(nM) = 0.015 IC50(nM) = 0.046 Kd(nM) = 0.5 EC50(nM) = 0.01
6	O70351_EST	O70351	3-hydroxyacyl-CoA dehydrogenase type-2	n/a
7	Q99LC4_EST	Q99LC4	Igh protein	n/a
8	Q920E6_EST	Q920E6	Pterin-mimicking anti-idiotope kappa	n/a
9	P14061_EST	P14061	17-beta-hydroxysteroid dehydrogenase type	n/a
10	Q7TS98_EST	Q7TS98	Anti-colorectal carcinoma light	n/a
11	P04278_EST	P04278	Sex hormone-binding globulin	n/a	IC50(nM) = 50.0 Kd(nM) = 1.5
12	P03372_EST	P03372	Estrogen receptor (ER)	agonist	Ki(nM) = 0.113 IC50(nM) = 0.01 Kd(nM) = 0.2 EC50(nM) = 0.004
13	P49888_EST	P49888	Sulfotransferase 1E1 (ST1E1)	n/a
14	P43681_EST	P43681	Neuronal acetylcholine receptor	binder
15	O75469_EST	O75469	Nuclear receptor subfamily	binder
16	Q7JYX0_EST	Q7JYX0	Glutathione S-transferase E14	n/a
17	P50225_EST	P50225	Sulfotransferase 1A1 (ST1A1)	n/a	Kd(nM) = 1200.0