Ligand name: GENISTEIN
PDB ligand accession: GEN
DrugBank: DB01645
PubChem: 5280961
ChEMBL: CHEMBL44
InChI Key: TZBJGXHYKVUXJN-UHFFFAOYSA-N
SMILES: c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Isoflavonoids
      • Subclass: Isoflav-2-enes

List of proteins that are targets for DB01645

#	DrugDomain Data	UniProt Accession	Protein name	Drug Action	Affinity data
1	Q92731_GEN	Q92731	Estrogen receptor beta	modulator	Ki(nM) = 24.0 IC50(nM) = 1.3 EC50(nM) = 2.4
2	P02766_GEN	P02766	Transthyretin (ATTR) (Prealbumin)	n/a
3	Q9H1D0_GEN	Q9H1D0	Transient receptor potential	n/a
4	Q15596_GEN	Q15596	Nuclear receptor coactivator	n/a
5	P11388_GEN	P11388	DNA topoisomerase 2-alpha	n/a	IC50(nM) = 111000.0
6	O75469_GEN	O75469	Nuclear receptor subfamily	n/a
7	Q15788_GEN	Q15788	Nuclear receptor coactivator	n/a
8	Q16678_GEN	Q16678	Cytochrome P450 1B1	n/a
9	P13569_GEN	P13569	Cystic fibrosis transmembrane	activator	EC50(nM) = 6170.0
10	A0A2A6N3G4_GEN	A0A2A6N3G4	deleted	n/a
11	O95718_GEN	O95718	Steroid hormone receptor	agonist	IC50(nM) = 395.0
12	P04278_GEN	P04278	Sex hormone-binding globulin	n/a	Kd(nM) = 39811.0
13	Q14289_GEN	Q14289	Protein-tyrosine kinase 2-beta	n/a
14	A0A1B0UHJ4_GEN	A0A1B0UHJ4	Aromatic prenyltransferase	n/a
15	O93874_GEN	O93874	17beta-hydroxysteroid dehydrogenase	n/a
16	P31749_GEN	P31749	RAC-alpha serine/threonine-protein kinase	n/a	IC50(nM) = 70000.0
17	P53355_GEN	P53355	Death-associated protein kinase	n/a	IC50(nM) = 98000.0
18	P03372_GEN	P03372	Estrogen receptor (ER)	n/a	Ki(nM) = 370.0 IC50(nM) = 9.7 EC50(nM) = 20.0
19	P11474_GEN	P11474	Steroid hormone receptor	agonist	IC50(nM) = 10.0
20	Q99527_GEN	Q99527	G-protein coupled estrogen	n/a