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TargetEstrogen receptor
LigandBDBM20625
Substrate/Competitorn/a
Meas. Tech.ChEMBL_67167 (CHEMBL681151)
Ki 0.490±n/a nM
Citation Schmidt, JMMercure, JTremblay, GBPagé, MKalbakji, AFeher, MDunn-Dufault, RPeter, MGRedden, PR De novo design, synthesis, and evaluation of novel nonsteroidal phenanthrene ligands for the estrogen receptor. J Med Chem46:1408-18 (2003) [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:
BDBM20625
n/a
NameBDBM20625
Synonyms:4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | CHEMBL411 | Diethylstilbestrol | Diethylstilbestrol (1) | Stilbestrol | Stilboestroform
TypeSmall organic molecule
Emp. Form.C18H20O2
Mol. Mass.268.3502
SMILESCC\C(=C(\CC)c1ccc(O)cc1)c1ccc(O)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: