Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetEstrogen receptor
LigandBDBM50144853
Substrate/Competitorn/a
Meas. Tech.ChEMBL_67487
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
 
Estrogen receptor
Name:Baculoviral IAP repeat-containing protein 2/Estrogen receptor
Synonyms:ER | ER-alpha | ESR | ESR1 | Estradiol 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:
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