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TargetEstrogen receptor
LigandBDBM50145495
Substrate/Competitorn/a
Meas. Tech.ChEBML_67484
IC50 542±n/a nM
Citation Chen, HY; Kim, S; Wu, JY; Birzin, ET; Chan, W; Yang, YT; Dahllund, J; DiNinno, F; Rohrer, SP; Schaeffer, JM; Hammond, ML Estrogen receptor ligands. Part 3: The SAR of dihydrobenzoxathiin SERMs. Bioorg Med Chem Lett14:2551-4 (2004) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Estrogen receptor
Name:Estrogen receptor
Synonyms:ER | ER-alpha | ESR | ESR1 | ESR1_HUMAN | Estradiol receptor | Estrogen receptor | Estrogen receptor (ER alpha) | Estrogen receptor (ER-alpha) | Estrogen receptor alpha (ER alpha) | Estrogen receptor alpha (ER) | NR3A1 | Nuclear receptor subfamily 3 group A member 1
Type:Protein
Mol. Mass.:66230.44
Organism:Homo sapiens (Human)
Description:P03372
Residue:595
Sequence:
MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPAVYNYPEGAAY
EFNAAAAANAQVYGQTGLPYGPGSEAAAFGSNGLGGFPPLNSVSPSPLMLLHPPPQLSPF
LQPHGQQVPYYLENEPSGYTVREAGPPAFYRPNSDNRRQGGRERLASTNDKGSMAMESAK
ETRYCAVCNDYASGYHYGVWSCEGCKAFFKRSIQGHNDYMCPATNQCTIDKNRRKSCQAC
RLRKCYEVGMMKGGIRKDRRGGRMLKHKRQRDDGEGRGEVGSAGDMRAANLWPSPLMIKR
SKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINW
AKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEG
MVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLD
KITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLL
LEMLDAHRLHAPTSRGGASVEETDQSHLATAGSTSSHSLQKYYITGEAEGFPATV
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50145495
n/a
NameBDBM50145495
Synonyms:(2S,3R)-2-[4-(2-Piperidin-1-yl-ethoxy)-phenyl]-3-pyridin-3-yl-2,3-dihydro-benzo[1,4]oxathiin-6-ol | CHEMBL83060
TypeSmall organic molecule
Emp. Form.C26H28N2O3S
Mol. Mass.448.577
SMILESOc1ccc2O[C@H]([C@H](Sc2c1)c1cccnc1)c1ccc(OCCN2CCCCC2)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: