7MSA

GDC-9545 in complex with estrogen receptor alpha

Summary for 7MSA

• Entry DOI: 10.2210/pdb7msa/pdb
• Descriptor: 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)
• Functional Keywords: antagonist, breast cancer, transcription
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 4
• Total formula weight: 129878.83

Authors

Kiefer, J.R.,Vinogradova, M.,Liang, J.,Zbieg, J.R.,Wang, X.,Ortwine, D.F. (deposition date: 2021-05-10, release date: 2021-06-02, Last modification date: 2021-09-08)

• Primary citation: 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

Experimental method

X-RAY DIFFRACTION (2.24 Å)