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TargetEstrogen receptor
LigandBDBM50238723
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1664056 (CHEMBL4013737)
Ki 7.1±n/a nM
Citation Min, JGuillen, VSSharma, AZhao, YZiegler, YGong, PMayne, CGSrinivasan, SKim, SHCarlson, KENettles, KWKatzenellenbogen, BSKatzenellenbogen, JA Adamantyl Antiestrogens with Novel Side Chains Reveal a Spectrum of Activities in Suppressing Estrogen Receptor Mediated Activities in Breast Cancer Cells. J Med Chem60:6321-6336 (2017) [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:
BDBM50238723
n/a
NameBDBM50238723
Synonyms:CHEMBL4072205
TypeSmall organic molecule
Emp. Form.C34H42O3
Mol. Mass.498.6955
SMILESCC(C)CCCCCOC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:19:20:22:26.24.25,THB:24:23:20:26.25.27,24:25:22.23.29:20,27:25:22:29.28.20,27:28:22:26.24.25,(41.54,-24.01,;42.88,-23.24,;42.88,-21.7,;44.21,-24.01,;45.54,-23.24,;46.88,-24.01,;48.21,-23.25,;49.54,-24.02,;50.88,-23.25,;52.21,-24.02,;52.21,-25.56,;53.55,-23.25,;54.88,-24.02,;56.21,-23.25,;56.21,-21.71,;57.54,-20.94,;58.88,-21.7,;58.88,-23.25,;57.55,-24.02,;60.21,-20.93,;61.55,-21.69,;61.55,-23.18,;60.36,-24.45,;61.85,-24.04,;63.26,-24.6,;64.27,-23.32,;62.87,-23.67,;64.29,-21.79,;62.89,-21.22,;61.85,-22.45,;60.2,-19.39,;61.54,-18.62,;61.53,-17.08,;60.2,-16.31,;60.19,-14.77,;58.86,-17.1,;58.87,-18.63,)|
Structure
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