7QVJ

ESTROGEN RECEPTOR ALPHA IN COMPLEX WITH COMPOUND 29

Summary for 7QVJ

• Entry DOI: 10.2210/pdb7qvj/pdb
• Descriptor: Estrogen receptor, 2,2-bis(fluoranyl)-3-[(1~{R},3~{R})-1-[6-fluoranyl-3-[2-(3-fluoranylpropylamino)ethoxy]-2-methyl-phenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-ol (3 entities in total)
• Functional Keywords: ligand-binding domain of oestrogen nuclear hormone receptor, transcription
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 58326.17

Authors

Breed, J. (deposition date: 2022-01-21, release date: 2023-02-01, Last modification date: 2024-02-07)

• Primary citation: Scott, J.S.,Stead, D.,Barlaam, B.,Breed, J.,Carbajo, R.J.,Chiarparin, E.,Cureton, N.,Davey, P.R.J.,Fisher, D.I.,Gangl, E.T.,Grebe, T.,Greenwood, R.D.,Hande, S.,Hatoum-Mokdad, H.,Hughes, S.J.,Hunt, T.A.,Johnson, T.,Kavanagh, S.L.,Klinowska, T.C.M.,Larner, C.J.B.,Lawson, M.,Lister, A.S.,Longmire, D.,Marden, S.,McGuire, T.M.,McMillan, C.,McMurray, L.,Morrow, C.J.,Nissink, J.W.M.,Moss, T.A.,O'Donovan, D.H.,Polanski, R.,Stokes, S.,Thakur, K.,Trueman, D.,Truman, C.,Tucker, M.J.,Wang, H.,Whalley, N.,Wu, D.,Wu, Y.,Yang, B.,Yang, W.; Discovery of a Potent and Orally Bioavailable Zwitterionic Series of Selective Estrogen Receptor Degrader-Antagonists.; J.Med.Chem., 66:2918-2945, 2023; PubMed: 36727211; DOI: 10.1021/acs.jmedchem.2c01964

Experimental method

X-RAY DIFFRACTION (1.68 Å)