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Title | 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. |
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Journal, issue, pages | J. Med. Chem., Vol. 58, Page 8128-, Year 2015 |
Publish date | Jul 28, 2015 (structure data deposition date) |
Authors | 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. ...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. |
External links | J. Med. Chem. / PubMed:26407012 |
Methods | X-ray diffraction |
Resolution | 1.88 - 1.95 Å |
Structure data | PDB-5aau: PDB-5aav: PDB-5acc: |
Chemicals | ChemComp-XBR: ChemComp-HOH: ChemComp-GW5: ChemComp-KE9: |
Source |
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Keywords | SIGNALING PROTEIN / BREAST CANCER / ESTROGEN RECEPTOR DOWNREGULATOR / FULVESTRANT / AZD9496 / NUCLEAR HORMONE RECEPTOR / SERD / METASTATIC BREAST CANCER / ER MUTATION / ESR1 MUTATION / COMBINATION THERAPY |