7MSA

GDC-9545 in complex with estrogen receptor alpha

7MSA の概要

• エントリーDOI: 10.2210/pdb7msa/pdb
• 分子名称: Estrogen receptor, (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, 3-[(1R,3R)-1-(2,6-difluoro-4-{[1-(3-fluoropropyl)azetidin-3-yl]amino}phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol, ... (4 entities in total)
• 機能のキーワード: antagonist, breast cancer, transcription
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 129878.83

構造登録者

Kiefer, J.R.,Vinogradova, M.,Liang, J.,Zbieg, J.R.,Wang, X.,Ortwine, D.F. (登録日: 2021-05-10, 公開日: 2021-06-02, 最終更新日: 2021-09-08)

• 主引用文献: Liang, J.,Zbieg, J.R.,Blake, R.A.,Chang, J.H.,Daly, S.,DiPasquale, A.G.,Friedman, L.S.,Gelzleichter, T.,Gill, M.,Giltnane, J.M.,Goodacre, S.,Guan, J.,Hartman, S.J.,Ingalla, E.R.,Kategaya, L.,Kiefer, J.R.,Kleinheinz, T.,Labadie, S.S.,Lai, T.,Li, J.,Liao, J.,Liu, Z.,Mody, V.,McLean, N.,Metcalfe, C.,Nannini, M.A.,Oeh, J.,O'Rourke, M.G.,Ortwine, D.F.,Ran, Y.,Ray, N.C.,Roussel, F.,Sambrone, A.,Sampath, D.,Schutt, L.K.,Vinogradova, M.,Wai, J.,Wang, T.,Wertz, I.E.,White, J.R.,Yeap, S.K.,Young, A.,Zhang, B.,Zheng, X.,Zhou, W.,Zhong, Y.,Wang, X.; GDC-9545 (Giredestrant): A Potent and Orally Bioavailable Selective Estrogen Receptor Antagonist and Degrader with an Exceptional Preclinical Profile for ER+ Breast Cancer.; J.Med.Chem., 64:11841-11856, 2021; PubMed: 34251202; DOI: 10.1021/acs.jmedchem.1c00847

実験手法

X-RAY DIFFRACTION (2.24 Å)