Ligand name: TESTOSTERONE
PDB ligand accession: TES
DrugBank: DB00624
PubChem: 6013
ChEMBL: CHEMBL386630
InChI Key: MUMGGOZAMZWBJJ-DYKIIFRCSA-N
SMILES: CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C

ClassyFire chemical classification:

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

List of proteins that are targets for TES

#	DrugDomain Data	UniProt Accession	Protein name	Drug Action	Affinity data
1	P11511_TES	P11511	Aromatase (EC 1.14.14.14)	n/a	Ki(nM) = 600.0
2	P52895_TES	P52895	Aldo-keto reductase family	n/a
3	P35747_TES	P35747	Albumin (allergen Equ	n/a
4	F2Q7T0_TES	F2Q7T0	Bifunctional cytochrome P450/NADPH--P450	n/a
5	M5PFT9_TES	M5PFT9	Cytochrome P450 monooxygenase	n/a
6	P10275_TES	P10275	Androgen receptor (Dihydrotestosterone	agonist	Ki(nM) = 3.2 IC50(nM) = 2.7 Kd(nM) = 0.4 EC50(nM) = 1.1
7	A0A1V0UEC8_TES	A0A1V0UEC8	Cytochrome P450	n/a
8	P23457_TES	P23457	3-alpha-hydroxysteroid dehydrogenase (3-alpha-HSD)	n/a
9	Q82GL5_TES	Q82GL5	Cytochrome P450 hydroxylase	n/a
10	P01011_TES	P01011	Alpha-1-antichymotrypsin (ACT) (Cell	n/a
11	D5DKI8_TES	D5DKI8	Cytochrome P450 (EC	n/a
12	P51857_TES	P51857	Aldo-keto reductase family	n/a
13	Q9R1A4_TES	Q9R1A4	deleted	n/a
14	P14779_TES	P14779	Bifunctional cytochrome P450/NADPH--P450	n/a
15	P14061_TES	P14061	17-beta-hydroxysteroid dehydrogenase type	n/a
16	Q99M37_TES	Q99M37	deleted	n/a
17	P80508_TES	P80508	Prostaglandin-E(2) 9-reductase (EC	n/a
18	Q5YNS8_TES	Q5YNS8	Cytochrome P450 monooxygenase	n/a
19	P03372_TES	P03372	Estrogen receptor (ER)	inhibitor	IC50(nM) = 10000.0
20	P08235_TES	P08235	Mineralocorticoid receptor (MR)	ligand
21	D5DF88_TES	D5DF88	Cytochrome P450 (EC	n/a