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Title | Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening. |
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Journal, issue, pages | J. Med. Chem., Vol. 63, Page 714-746, Year 2020 |
Publish date | Dec 15, 2019 (structure data deposition date) |
Authors | Wellaway, C.R. / Amans, D. / Bamborough, P. / Barnett, H. / Bit, R.A. / Brown, J.A. / Carlson, N.R. / Chung, C.W. / Cooper, A.W.J. / Craggs, P.D. ...Wellaway, C.R. / Amans, D. / Bamborough, P. / Barnett, H. / Bit, R.A. / Brown, J.A. / Carlson, N.R. / Chung, C.W. / Cooper, A.W.J. / Craggs, P.D. / Davis, R.P. / Dean, T.W. / Evans, J.P. / Gordon, L. / Harada, I.L. / Hirst, D.J. / Humphreys, P.G. / Jones, K.L. / Lewis, A.J. / Lindon, M.J. / Lugo, D. / Mahmood, M. / McCleary, S. / Medeiros, P. / Mitchell, D.J. / O'Sullivan, M. / Le Gall, A. / Patel, V.K. / Patten, C. / Poole, D.L. / Shah, R.R. / Smith, J.E. / Stafford, K.A.J. / Thomas, P.J. / Vimal, M. / Wall, I.D. / Watson, R.J. / Wellaway, N. / Yao, G. / Prinjha, R.K. |
External links | J. Med. Chem. / PubMed:31904959 |
Methods | X-ray diffraction |
Resolution | 1.299 - 2.26 Å |
Structure data | PDB-6tpx: PDB-6tpy: PDB-6tpz: PDB-6tq1: PDB-6tq2: |
Chemicals | ChemComp-NUW: ChemComp-EDO: ChemComp-HOH: ChemComp-NUB: ChemComp-NV2: ChemComp-SO4: ChemComp-NUH: ChemComp-NUQ: |
Source |
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Keywords | TRANSCRIPTION / INHIBITOR / HISTONE / EPIGENETIC READER / BROMODOMAIN / BRD4 / BROMODOMAIN CONTAINING PROTEIN 4 / ANTAGONIST |