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TargetEstradiol receptor beta (ERβ)
LigandBDBM50149073
Substrate/Competitorn/a
Meas. Tech.ChEBML_67684
IC50 326±n/a nM
Citation Tan, QBirzin, ETChan, WYang, YTPai, LYHayes, ECDaSilva, CADiNinno, FRohrer, SPSchaeffer, JMHammond, ML Estrogen receptor ligands. Part 6: Synthesis and binding affinity of dihydrobenzodithiins. Bioorg Med Chem Lett14:3753-5 (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:
BDBM50149073
NameBDBM50149073
Synonyms:(2S,3R)-3-(4-Hydroxy-phenyl)-2-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-2,3-dihydro-benzo[1,4]dithiin-6-ol | CHEMBL331996
TypeSmall organic molecule
Emp. Form.C27H29NO3S2
Mol. Mass.479.654
SMILESOc1ccc(cc1)[C@H]1Sc2cc(O)ccc2S[C@H]1c1ccc(OCCN2CCCCC2)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a