2CGW
Identification of chemically diverse Chk1 inhibitors by receptor- based virtual screening
2CGW の概要
エントリーDOI | 10.2210/pdb2cgw/pdb |
関連するPDBエントリー | 1IA8 1NVQ 1NVR 1NVS 2BR1 2BRB 2BRG 2BRH 2BRM 2BRN 2BRO 2C3J 2C3K 2C3L 2CGU 2CGV 2CGX |
分子名称 | SERINE/THREONINE-PROTEIN KINASE CHK1, 4,4'-(1-PROPYL-1H-1,2,4-TRIAZOLE-3,5-DIYL)BIS(2,5-DIHYDRO-1,2,5-OXADIAZOL-3-AMINE) (3 entities in total) |
機能のキーワード | 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 |
由来する生物種 | HOMO SAPIENS (HUMAN) |
タンパク質・核酸の鎖数 | 1 |
化学式量合計 | 34429.42 |
構造登録者 | Foloppe, N.,Fisher, L.M.,Howes, R.,Potter, A.,Robertson, A.G.S.,Surgenor, A.E. (登録日: 2006-03-09, 公開日: 2006-04-05, 最終更新日: 2023-12-13) |
主引用文献 | Foloppe, N.,Fisher, L.M.,Howes, R.,Potter, A.,Robertson, A.G.S.,Surgenor, A.E. Identification of Chemically Diverse Chk1 Inhibitors by Receptor-Based Virtual Screening. Bioorg.Med.Chem., 14:4792-, 2006 Cited by PubMed: 16574416DOI: 10.1016/J.BMC.2006.03.021 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (2.2 Å) |
構造検証レポート
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