Brand  (β version)

PDB ID: 5FQS

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Ligands
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J0W (E)-3-[4-(6-hydroxy-2-isobutyl-1-methyl-3,4-dihydroisoquinolin-1-yl)phenyl]prop-2-enoic acid PoSSuM
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Structure summary

Code : 5FQS   PDBj   RCSB PDB   PDBe
Header : SIGNALING PROTEIN
Title : Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 3.
Release Data : 2016-02-10
Compound :
mol_id molecule chains synonym
1 ESTROGEN RECEPTOR A ER, ER-ALPHA, ESTRADIOL RECEPTOR, NUCLEAR RECEPTOR SUBFAMILY 3 GROUP A MEMBER 1, ESTROGEN RECEPTOR ALPHA
fragment: LIGAND-BINDING DOMAIN, UNP RESIDUES 307-554
mutation: YES
Source :
mol_id organism_scientific organism_common expression_system
1 HOMO SAPIENS  (taxid:9606) HUMAN ESCHERICHIA COLI  (taxid:469008)
expression_system_strain: BL21(DE3)
expression_system_variant: GOLD
Authors : Scott, J.S., bailey, A., Davies, R.D.M., Degorce, S.L., MacFaul, P.A., Gingell, H., Moss, T., Norman, R.A., Pink, J.H., Rabow, A.A., Roberts, B., Smith, P.D.
Keywords : SIGNALING PROTEIN, BREAST CANCER, ESTROGEN RECEPTOR DOWNREGULATOR, FULVESTRANT, THIQ, NUCLEAR HORMONE RECEPTOR
Exp. method : X-RAY DIFFRACTION ( 1.94 Å )
Citation :

Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat.

Scott, J.S.,Bailey, A.,Davies, R.D.M.  et al.
(2016)  Acs Med.Chem.Lett.  7 : 94

PubMed: 26819673
DOI: 10.1021/ACSMEDCHEMLETT.5B00413

Azd9496: An Oral Estrogen Receptor Inhibitor that Blocks the Growth of Er-Positive and Esr1-Mutant Breast Tumors in Preclinical Models.

Weir, H.M.,Bradbury, R.H.,Lawson, M.  et al.
(2016)  Cancer Res.  76 : 3307

PubMed: 27020862
DOI: 10.1158/0008-5472.CAN-15-2357

Reaction

Chain : A
UniProt : P03372 (ESR1_HUMAN)
Reaction : -