5T92

ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH (2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methy l-1,2,3,4- tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid

Summary for 5T92

• Entry DOI: 10.2210/pdb5t92/pdb
• Descriptor: Estrogen receptor, (2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid (3 entities in total)
• Functional Keywords: nuclear receptor, protein-ligand complex, hormone receptor
• Biological source: Homo sapiens (Human)
• Cellular location: Isoform 1: Nucleus . Isoform 3: Nucleus. Nucleus: P03372
• Total number of polymer chains: 2
• Total formula weight: 58602.64

Authors

Kirby, C.,Baird, J. (deposition date: 2016-09-09, release date: 2017-03-29, Last modification date: 2024-04-03)

• Primary citation: Burks, H.E.,Abrams, T.,Kirby, C.A.,Baird, J.,Fekete, A.,Hamann, L.G.,Kim, S.,Lombardo, F.,Loo, A.,Lubicka, D.,Macchi, K.,McDonnell, D.P.,Mishina, Y.,Norris, J.D.,Nunez, J.,Saran, C.,Sun, Y.,Thomsen, N.M.,Wang, C.,Wang, J.,Peukert, S.; Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ER alpha + Breast Cancer.; J. Med. Chem., 60:2790-2818, 2017; PubMed: 28296398; DOI: 10.1021/acs.jmedchem.6b01468

Experimental method

X-RAY DIFFRACTION (2.22 Å)