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Title | Identification and Optimization of a Ligand-Efficient Benzoazepinone Bromodomain and Extra Terminal (BET) Family Acetyl-Lysine Mimetic into the Oral Candidate Quality Molecule I-BET432. |
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Journal, issue, pages | J. Med. Chem., Vol. 65, Page 15174-15207, Year 2022 |
Publish date | Sep 22, 2022 (structure data deposition date) |
![]() | Humphreys, P.G. / Anderson, N.A. / Bamborough, P. / Baxter, A. / Chung, C.W. / Cookson, R. / Craggs, P.D. / Dalton, T. / Fournier, J.C.L. / Gordon, L.J. ...Humphreys, P.G. / Anderson, N.A. / Bamborough, P. / Baxter, A. / Chung, C.W. / Cookson, R. / Craggs, P.D. / Dalton, T. / Fournier, J.C.L. / Gordon, L.J. / Gray, H.F. / Gray, M.W. / Gregory, R. / Hirst, D.J. / Jamieson, C. / Jones, K.L. / Kessedjian, H. / Lugo, D. / McGonagle, G. / Patel, V.K. / Patten, C. / Poole, D.L. / Prinjha, R.K. / Ramirez-Molina, C. / Rioja, I. / Seal, G. / Stafford, K.A.J. / Shah, R.R. / Tape, D. / Theodoulou, N.H. / Tomlinson, L. / Ukuser, S. / Wall, I.D. / Wellaway, N. / White, G. |
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Methods | X-ray diffraction |
Resolution | 1.603 - 1.619 Å |
Structure data | ![]() PDB-8b5g: ![]() PDB-8b5h: ![]() PDB-8b5i: ![]() PDB-8b5j: |
Chemicals | ![]() ChemComp-EDO: ![]() ChemComp-P4M: ![]() ChemComp-MES: ![]() ChemComp-HOH: ![]() ChemComp-7PE: ![]() ChemComp-P4X: ![]() ChemComp-PE4: ![]() ChemComp-P0U: ![]() ChemComp-P3R: |
Source |
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![]() | TRANSCRIPTION / INHIBITOR COMPLEX BROMODOMAIN |