タイトル | Rational design of highly selective spleen tyrosine kinase inhibitors. |
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ジャーナル・号・ページ | J. Med. Chem., Vol. 55, Page 10414-10423, Year 2012 |
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掲載日 | 2012年7月5日 (構造データの登録日) |
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著者 | Lucas, M.C. / Goldstein, D.M. / Hermann, J.C. / Kuglstatter, A. / Liu, W. / Luk, K.C. / Padilla, F. / Slade, M. / Villasenor, A.G. / Wanner, J. ...Lucas, M.C. / Goldstein, D.M. / Hermann, J.C. / Kuglstatter, A. / Liu, W. / Luk, K.C. / Padilla, F. / Slade, M. / Villasenor, A.G. / Wanner, J. / Xie, W. / Zhang, X. / Liao, C. |
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リンク | J. Med. Chem. / PubMed:23151054 |
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手法 | X線回折 |
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解像度 | 1.4 - 2.318 Å |
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構造データ | PDB-4fyn: Crystal structure of spleen tyrosine kinase complexed with 3-(8-{4-[Ethyl-(2-hydroxy-ethyl)-amino]-phenylamino}-imidazo[1,2-a]pyrazin-5-yl)-phenol 手法: X-RAY DIFFRACTION / 解像度: 2.318 Å PDB-4fyo: Crystal structure of spleen tyrosine kinase complexed with N-{(S)-1-[7-(3,4-Dimethoxy-phenylamino)-thiazolo[5,4-d]pyrimidin-5-yl]-pyrrolidin-3-yl}-terephthalamic acid 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-4fz6: Crystal structure of spleen tyrosine kinase complexed with [6-((S)-2-Methyl-pyrrolidin-1-yl)-pyridin-2-yl]-(6-phenyl-imidazo[1,2-b]pyridazin-8-yl)-amine 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å |
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化合物 | ChemComp-0VE: 3-[8-({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)imidazo[1,2-a]pyrazin-5-yl]phenol
ChemComp-0VF: 4-{[(3S)-1-{7-[(3,4-dimethoxyphenyl)amino][1,3]thiazolo[5,4-d]pyrimidin-5-yl}pyrrolidin-3-yl]carbamoyl}benzoic acid
ChemComp-0VG: N-{6-[(2S)-2-methylpyrrolidin-1-yl]pyridin-2-yl}-6-phenylimidazo[1,2-b]pyridazin-8-amine
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由来 | homo sapiens (ヒト)
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キーワード | TRANSFERASE/TRANSFERASE INHIBITOR / kinase inhibitor / TRANSFERASE-TRANSFERASE INHIBITOR complex |
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