3DI6

HIV-1 RT with pyridazinone non-nucleoside inhibitor

3DI6 の概要

• エントリーDOI: 10.2210/pdb3di6/pdb
• 分子名称: Reverse transcriptase/ribonuclease H, p51 RT, 6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2H)-one, ... (4 entities in total)
• 機能のキーワード: hiv, rt, reverse transcriptase, transferase rna-directed dna polymerase, nucleotidyltransferase, aids, cytoplasm, hydrolase, transferase, viral nucleoprotein
• 由来する生物種: Human immunodeficiency virus type 1 (HXB2 isolate) (HIV-1); 詳細
• 細胞内の位置: Matrix protein p17: Virion (Potential). Capsid protein p24: Virion (Potential). Nucleocapsid protein p7: Virion (Potential). Reverse transcriptase/ribonuclease H: Virion (Potential). Integrase: Virion (Potential): P04585 P04585
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 116439.91

構造登録者

Harris, S.F.,Villasenor, A.,Dunten, P. (登録日: 2008-06-19, 公開日: 2008-08-19, 最終更新日: 2024-02-21)

主引用文献

Sweeney, Z.K.,Dunn, J.P.,Li, Y.,Heilek, G.,Dunten, P.,Elworthy, T.R.,Han, X.,Harris, S.F.,Hirschfeld, D.R.,Hogg, J.H.,Huber, W.,Kaiser, A.C.,Kertesz, D.J.,Kim, W.,Mirzadegan, T.,Roepel, M.G.,Saito, Y.D.,Silva, T.M.,Swallow, S.,Tracy, J.L.,Villasenor, A.,Vora, H.,Zhou, A.S.,Klumpp, K.
Discovery and optimization of pyridazinone non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 18:4352-4354, 2008

PubMed Abstract: A series of benzyl pyridazinones were evaluated as HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs). Several members of this series showed good activity against the wild-type virus and NNRTI-resistant viruses. The binding of inhibitor 5a to HIV-RT was analyzed by surface plasmon resonance spectroscopy. Pharmacokinetic studies of 5a in rat and dog demonstrated that this compound has good oral bioavailability in animal species. The crystal structure of a complex between HIV-RT and inhibitor 4c is also described.

PubMed: 18632268
DOI: 10.1016/j.bmcl.2008.06.072

実験手法

X-RAY DIFFRACTION (2.65 Å)