タイトル | Identification of Chemically Diverse Chk1 Inhibitors by Receptor-Based Virtual Screening. |
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ジャーナル・号・ページ | Bioorg. Med. Chem., Vol. 14, Page 4792-, Year 2006 |
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掲載日 | 2006年3月9日 (構造データの登録日) |
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著者 | Foloppe, N. / Fisher, L.M. / Howes, R. / Potter, A. / Robertson, A.G.S. / Surgenor, A.E. |
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リンク | Bioorg. Med. Chem. / PubMed:16574416 |
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手法 | X線回折 |
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解像度 | 2.2 - 2.6 Å |
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構造データ | PDB-2cgu: Identification of chemically diverse Chk1 inhibitors by receptor- based virtual screening 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-2cgv: Identification of chemically diverse Chk1 inhibitors by receptor- based virtual screening 手法: X-RAY DIFFRACTION / 解像度: 2.6 Å PDB-2cgw: Identification of chemically diverse Chk1 inhibitors by receptor- based virtual screening 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-2cgx: Identification of chemically diverse Chk1 inhibitors by receptor- based virtual screening 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å |
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化合物 | ChemComp-3A3: 2,2'-{[9-(HYDROXYIMINO)-9H-FLUORENE-2,7-DIYL]BIS(OXY)}DIACETIC ACID
ChemComp-3B3: (2S)-1-AMINO-3-[(5-NITROQUINOLIN-8-YL)AMINO]PROPAN-2-OL
ChemComp-3C3: 4,4'-(1-PROPYL-1H-1,2,4-TRIAZOLE-3,5-DIYL)BIS(2,5-DIHYDRO-1,2,5-OXADIAZOL-3-AMINE)
ChemComp-3D3: 2-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDE
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由来 | homo sapiens (ヒト)
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キーワード | TRANSFERASE / DOCKING / DRUG DESIGN / ONCOLOGY / VIRTUAL SCREENING / ATP- BINDING / CELL CYCLE / DNA DAMAGE / DNA REPAIR / KINASE / NUCLEAR PROTEIN / NUCLEOTIDE-BINDING / PHOSPHORYLATION / POLYMORPHISM / SERINE/THREONINE-PROTEIN KINASE / UBL CONJUGATION |
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