Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetEstradiol receptor beta (ERβ)
LigandBDBM50187243
Substrate/Competitorn/a
Meas. Tech.ChEMBL_356358
IC50 8.1±n/a nM
Citation Jain, NKanojia, RMXu, JJian-Zhong, GPacia, ELai, MTDu, FMusto, AAllan, GHahn, DLundeen, SSui, Z Novel chromene-derived selective estrogen receptor modulators useful for alleviating hot flushes and vaginal dryness. J Med Chem49:3056-9 (2006) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Estradiol receptor beta (ERβ)
Name:Estrogen receptor
Synonyms:ER-beta | Estrogen receptor | Estrogen receptor (ER beta) | Estrogen receptor beta (ER beta) | Estrogen receptor beta (ER) | Nuclear receptor subfamily 3 group A member 2 | estrogen beta
Type:Protein
Mol. Mass.:59238.43
Organism:Homo sapiens (Human)
Description:Q92731
Residue:530
Sequence:
MDIKNSPSSLNSPSSYNCSQSILPLEHGSIYIPSSYVDSHHEYPAMTFYSPAVMNYSIPS
NVTNLEGGPGRQTTSPNVLWPTPGHLSPLVVHRQLSHLYAEPQKSPWCEARSLEHTLPVN
RETLKRKVSGNRCASPVTGPGSKRDAHFCAVCSDYASGYHYGVWSCEGCKAFFKRSIQGH
NDYICPATNQCTIDKNRRKSCQACRLRKCYEVGMVKCGSRRERCGYRLVRRQRSADEQLH
CAGKAKRSGGHAPRVRELLLDALSPEQLVLTLLEAEPPHVLISRPSAPFTEASMMMSLTK
LADKELVHMISWAKKIPGFVELSLFDQVRLLESCWMEVLMMGLMWRSIDHPGKLIFAPDL
VLDRDEGKCVEGILEIFDMLLATTSRFRELKLQHKEYLCVKAMILLNSSMYPLVTATQDA
DSSRKLAHLLNAVTDALVWVIAKSGISSQQQSMRLANLLMLLSHVRHASNKGMEHLLNMK
CKNVVPVYDLLLEMLNAHVLRGCKSSITGSECSPAEDSKSKEGSQNPQSQ
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50187243
NameBDBM50187243
Synonyms:17-ethinyl-3,17-estradiol | 17-ethinyl-3,17-oestradiol | 17-ethinylestradiol | 17alpha-Ethinyl estradiol | 17alpha-ethynylestra-1,3,5(10)-triene-3,17beta-diol | 17alpha-ethynylestradiol | CHEMBL691 | ETHINYL ESTRADIOL | Ethinylestradiol | Ethynyl estradiol | ethinyloestradiol
TypeSmall organic molecule
Emp. Form.C20H24O2
Mol. Mass.296.4034
SMILESC[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a