タイトル | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field. |
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ジャーナル・号・ページ | Acs Med. Chem. Lett., Vol. 14, Page 949-954, Year 2023 |
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掲載日 | 2023年3月19日 (構造データの登録日) |
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著者 | Vulpetti, A. / Holzer, P. / Schmiedeberg, N. / Imbach-Weese, P. / Pissot-Soldermann, C. / Hollingworth, G.J. / Radimerski, T. / Thoma, C.R. / Stachyra, T.M. / Wojtynek, M. ...Vulpetti, A. / Holzer, P. / Schmiedeberg, N. / Imbach-Weese, P. / Pissot-Soldermann, C. / Hollingworth, G.J. / Radimerski, T. / Thoma, C.R. / Stachyra, T.M. / Wojtynek, M. / Maschlej, M. / Chau, S. / Schuffenhauer, A. / Fernandez, C. / Schroder, M. / Renatus, M. |
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リンク | Acs Med. Chem. Lett. / PubMed:37465299 |
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手法 | X線回折 |
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解像度 | 2.09 - 2.945 Å |
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構造データ | PDB-8og5: Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 1 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-8og6: Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 1 手法: X-RAY DIFFRACTION / 解像度: 2.245 Å PDB-8og7: Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 2 手法: X-RAY DIFFRACTION / 解像度: 2.64 Å PDB-8og8: Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 3 手法: X-RAY DIFFRACTION / 解像度: 2.11 Å PDB-8og9: Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 4 手法: X-RAY DIFFRACTION / 解像度: 2.945 Å PDB-8oga: Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 6 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-8ogb: Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 8 手法: X-RAY DIFFRACTION / 解像度: 2.27 Å PDB-8ogc: Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 11 手法: X-RAY DIFFRACTION / 解像度: 2.09 Å |
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化合物 | ChemComp-LQH: 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline
ChemComp-VMR: (4~{R})-4-[3-(4-chloranylphenoxy)phenyl]pyrrolidin-2-imine
ChemComp-VM8: 5-(2-methyl-1-phenyl-propan-2-yl)imidazo[2,1-a]isoquinoline
ChemComp-VM3: 5-[1-(4-chlorophenyl)cyclopropyl]imidazo[2,1-a]isoquinoline
ChemComp-VLW: 5-[1-(4-methoxyphenyl)cyclopropyl]-8-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline
ChemComp-VN5: ~{N}'-[2-[1-(4-methoxyphenyl)cyclopropyl]-7-(4-methylpiperazin-1-yl)quinazolin-4-yl]ethane-1,2-diamine
ChemComp-VMZ: 1-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclopentyl]quinazolin-7-yl]piperazin-1-yl]ethanone
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由来 | - homo sapiens (ヒト)
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キーワード | TRANSFERASE / DCAF1 / E3 ligase / compound |
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