タイトル | Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor. |
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ジャーナル・号・ページ | J. Med. Chem., Vol. 63, Page 13762-13795, Year 2020 |
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掲載日 | 2020年3月17日 (構造データの登録日) |
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著者 | Szlavik, Z. / Csekei, M. / Paczal, A. / Szabo, Z.B. / Sipos, S. / Radics, G. / Proszenyak, A. / Balint, B. / Murray, J. / Davidson, J. ...Szlavik, Z. / Csekei, M. / Paczal, A. / Szabo, Z.B. / Sipos, S. / Radics, G. / Proszenyak, A. / Balint, B. / Murray, J. / Davidson, J. / Chen, I. / Dokurno, P. / Surgenor, A.E. / Daniels, Z.M. / Hubbard, R.E. / Le Toumelin-Braizat, G. / Claperon, A. / Lysiak-Auvity, G. / Girard, A.M. / Bruno, A. / Chanrion, M. / Colland, F. / Maragno, A.L. / Demarles, D. / Geneste, O. / Kotschy, A. |
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リンク | J. Med. Chem. / PubMed:33146521 |
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手法 | X線回折 |
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解像度 | 2 - 2.5 Å |
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構造データ | PDB-6ybg: Structure of Mcl-1 in complex with compound 2g 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-6ybj: Structure of MBP-Mcl-1 in complex with compound 3e 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-6ybk: Structure of MBP-Mcl-1 in complex with compound 4d 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-6ybl: Structure of MBP-Mcl-1 in complex with compound 9m 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å |
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化合物 | ChemComp-OJT: (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-(2-methoxyphenyl)propanoic acid
ChemComp-OJW: (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[(2-methylpyrazol-3-yl)methoxy]phenyl]propanoic acid
ChemComp-OK2: (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoic acid
ChemComp-OK5: (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid
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由来 | - homo sapiens (ヒト)
- escherichia coli o157:h7 (大腸菌)
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キーワード | APOPTOSIS / Apoptosis-inhibitor complex / Mcl-1 / S64315 / small molecule inhibitor / MBP |
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