5ACC

A Novel Oral Selective Estrogen Receptor Down-regulator, AZD9496, drives Tumour Growth Inhibition in Estrogen Receptor positive and ESR1 Mutant Models

5ACC の概要

• エントリーDOI: 10.2210/pdb5acc/pdb
• 分子名称: ESTROGEN RECEPTOR, (E)-3-(3,5-DIFLUORO-4-((1R,3R)-2-(2-FLUORO-2- METHYLPROPYL)-3-METHYL-2,3,4,9-TETRAHYDRO-1H-PYRIDO(3,4-B)INDOL-1-YL)PHENYL)ACRYLIC ACID (3 entities in total)
• 機能のキーワード: signaling protein, serd, metastatic breast cancer, er mutation, esr1 mutation, combination therapy
• 由来する生物種: HOMO SAPIENS (HUMAN)
• 細胞内の位置: Isoform 1: Nucleus . Isoform 3: Nucleus. Nucleus: P03372
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 28684.52

構造登録者

Norman, R.A.,Weir, H.M.,Bradbury, R.H.,Lawson, M.,Rabow, A.A.,Buttar, D.,Callis, R.J.,Curwen, J.O.,de Almeida, C.,Ballard, P.,Hulse, M.,Donald, C.S.,Feron, L.J.L.,Gingell, H.,Karoutchi, G.,MacFaul, P.,Moss, T.,Pearson, S.E.,Tonge, M.,Davies, G.,Walker, G.E.,Wilson, Z.,Rowlinson, R.,Powell, S.,Hemsley, P.,Linney, E.,Campbell, H.,Ghazoui, Z.,Sadler, C.,Richmond, G.,Pazolli, E.,Mazzola, A.M.,DCruz, C.,De Savi, C. (登録日: 2015-08-15, 公開日: 2015-12-16, 最終更新日: 2024-05-01)

• 主引用文献: De Savi, C.,Bradbury, R.H.,Rabow, A.A.,Norman, R.A.,De Almeida, C.,Andrews, D.M.,Ballard, P.,Buttar, D.,Callis, R.J.,Currie, G.S.,Curwen, J.O.,Davies, C.D.,Donald, C.S.,Feron, L.J.L.,Gingell, H.,Glossop, S.C.,Hayter, B.R.,Hussain, S.,Karoutchi, G.,Lamont, S.G.,Macfaul, P.,Moss, T.A.,Pearson, S.E.,Tonge, M.,Walker, G.E.,Weir, H.M.,Wilson, Z.; Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2, 3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl)Phenyl)Acrylic Acid (Azd9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist.; J.Med.Chem., 58:8128-, 2015; PubMed: 26407012; DOI: 10.1021/ACS.JMEDCHEM.5B00984

実験手法

X-RAY DIFFRACTION (1.88 Å)