タイトル | Leveraging Ligand Affinity and Properties: Discovery of Novel Benzamide-Type Cereblon Binders for the Design of PROTACs. |
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ジャーナル・号・ページ | J. Med. Chem., Vol. 66, Page 14513-14543, Year 2023 |
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掲載日 | 2023年4月21日 (構造データの登録日) |
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著者 | Steinebach, C. / Bricelj, A. / Murgai, A. / Sosic, I. / Bischof, L. / Ng, Y.L.D. / Heim, C. / Maiwald, S. / Proj, M. / Voget, R. ...Steinebach, C. / Bricelj, A. / Murgai, A. / Sosic, I. / Bischof, L. / Ng, Y.L.D. / Heim, C. / Maiwald, S. / Proj, M. / Voget, R. / Feller, F. / Kosmrlj, J. / Sapozhnikova, V. / Schmidt, A. / Zuleeg, M.R. / Lemnitzer, P. / Mertins, P. / Hansen, F.K. / Gutschow, M. / Kronke, J. / Hartmann, M.D. |
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リンク | J. Med. Chem. / PubMed:37902300 |
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手法 | X線回折 |
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解像度 | 1.47 - 2.3 Å |
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構造データ | PDB-8ou3: Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 8d 手法: X-RAY DIFFRACTION / 解像度: 1.47 Å PDB-8ou4: Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 11a 手法: X-RAY DIFFRACTION / 解像度: 2.25 Å PDB-8ou5: Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 11b 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-8ou6: Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 11c 手法: X-RAY DIFFRACTION / 解像度: 1.84 Å PDB-8ou7: Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 11d 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-8ou9: Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 11e 手法: X-RAY DIFFRACTION / 解像度: 1.75 Å PDB-8oua: Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 11f 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å |
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化合物 | ChemComp-W1T: 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-fluoranyl-benzamide
ChemComp-W2F: 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-chloranyl-benzamide
ChemComp-W1X: 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-(trifluoromethyl)benzamide
ChemComp-W26: 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-methyl-benzamide
ChemComp-W1F: 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-methoxy-benzamide
ChemComp-W1B: 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-oxidanyl-benzamide
ChemComp-W0Z: 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(fluoranyl)-3-methoxy-benzamide
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由来 | magnetospirillum gryphiswaldense (走磁性) magnetospirillum gryphiswaldense msr-1 v2 (走磁性)
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キーワード | SIGNALING PROTEIN / Cereblon / PROTAC / E3 / molecular glue |
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