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TargetEstrogen receptor
LigandBDBM50238740
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1664056 (CHEMBL4013737)
Ki 0.430000±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:
BDBM50238740
n/a
NameBDBM50238740
Synonyms:CHEMBL4078577
TypeSmall organic molecule
Emp. Form.C29H33NO3
Mol. Mass.443.5772
SMILESOCCCNC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:15:16:18:22.20.21,THB:20:19:16:22.21.23,20:21:18.19.25:16,23:21:18:25.24.16,23:24:18:22.20.21,(3.37,-11.66,;4.7,-12.43,;6.04,-11.67,;7.37,-12.44,;8.7,-11.68,;10.03,-12.45,;10.03,-13.99,;11.37,-11.68,;12.71,-12.46,;14.04,-11.69,;14.04,-10.14,;15.37,-9.37,;16.71,-10.14,;16.71,-11.69,;15.38,-12.46,;18.04,-9.36,;19.38,-10.13,;19.38,-11.62,;18.19,-12.89,;19.68,-12.47,;21.09,-13.03,;22.1,-11.75,;20.7,-12.1,;22.12,-10.23,;20.71,-9.65,;19.68,-10.88,;18.03,-7.82,;19.37,-7.05,;19.36,-5.52,;18.02,-4.75,;18.02,-3.21,;16.69,-5.53,;16.7,-7.07,)|
Structure
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