タイトル | Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation |
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ジャーナル・号・ページ | J. Med. Chem., Vol. 48, Page 414-, Year 2005 |
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掲載日 | 2004年9月16日 (構造データの登録日) |
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著者 | Gill, A. / Frederickson, M. / Cleasby, A. / Woodhead, S. / Carr, M. / Woodhead, A. / Walker, M. / Congreve, M. / Devine, L. / Tisi, D. ...Gill, A. / Frederickson, M. / Cleasby, A. / Woodhead, S. / Carr, M. / Woodhead, A. / Walker, M. / Congreve, M. / Devine, L. / Tisi, D. / O'Reilly, M. / Seavers, L. / Davis, D. / Curry, J. / Anthony, R. / Padova, A. / Murray, C. / Carr, R. / Jhoti, H. |
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リンク | J. Med. Chem. / PubMed:15658855 |
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手法 | X線回折 |
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解像度 | 1.8 - 2.5 Å |
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構造データ | PDB-1w82: p38 Kinase crystal structure in complex with small molecule inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-1w83: p38 Kinase crystal structure in complex with small molecule inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-1w84: p38 Kinase crystal structure in complex with small molecule inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-1wbn: fragment based p38 inhibitors 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å PDB-1wbs: Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation. 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-1wbt: Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation. 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-1wbv: Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation. 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-1wbw: Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation. 手法: X-RAY DIFFRACTION / 解像度: 2.41 Å |
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化合物 | ChemComp-L10: N-[(3Z)-5-TERT-BUTYL-2-PHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-YLIDENE]-N'-(4-CHLOROPHENYL)UREA
ChemComp-L11: N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-PHENYL]-3-FLUORO-
ChemComp-L09: N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N'-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA
ChemComp-LI2: 3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-5-YL]BENZAMIDE
ChemComp-LI3: 3-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN-4-YLBENZAMIDE
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由来 | homo sapiens (ヒト)
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キーワード | KINASE/INHIBITOR / KINASE-INHIBITOR COMPLEX / P38 / KINASE / INHIBITOR COMPLEX / TRANSFERASE / P38 MAP KINASE / INHIBITOR STRUCTURE / ALTERNATIVE SPLICING / ATP-BINDING / NUCLEAR PROTEIN / PHOSPHORYLATION / SERINE/THREONINE PROTEIN KINASE / MAP KINASE / SERINE/THREONINE-PROTEIN KINASE |
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