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TargetEstradiol receptor beta (ERβ)
LigandBDBM50144853
Substrate/Competitorn/a
Meas. Tech.ChEMBL_67811
IC50>100000±n/a nM
Citation Kim, SWu, JYBirzin, ETFrisch, KChan, WPai, LYYang, YTMosley, RTFitzgerald, PMSharma, NDahllund, JThorsell, AGDiNinno, FRohrer, SPSchaeffer, JMHammond, ML Estrogen receptor ligands. II. Discovery of benzoxathiins as potent, selective estrogen receptor alpha modulators. J Med Chem47:2171-5 (2004) [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:
BDBM50144853
NameBDBM50144853
Synonyms:(2R,3S)-3-(4-Hydroxy-phenyl)-4-oxo-2-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-3,4-dihydro-2H-4lambda*4*-benzo[1,4]oxathiin-6-ol | CHEMBL68549
TypeSmall organic molecule
Emp. Form.C27H27NO5S
Mol. Mass.477.572
SMILESOc1ccc(cc1)C1=C(Oc2ccc(O)cc2S1=O)c1ccc(OCCN2CCCCC2)cc1 |t:8|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a