3M8P

HIV-1 RT with NNRTI TMC-125

3M8P の概要

• エントリーDOI: 10.2210/pdb3m8p/pdb
• 関連するPDBエントリー: 2ZD1
• 分子名称: Reverse transcriptase/ribonuclease H, p51 RT, 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE, ... (4 entities in total)
• 機能のキーワード: hiv, rt, reverse transcriptase ribonuclease h, transferase rna-directed dna polymerase, nucleotidyltransferase, hydrolase, transferase
• 由来する生物種: Human immunodeficiency virus type 1 (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: 116544.45

構造登録者

Harris, S.F.,Villasenor, A. (登録日: 2010-03-18, 公開日: 2010-05-19, 最終更新日: 2024-02-21)

主引用文献

Kertesz, D.J.,Brotherton-Pleiss, C.,Yang, M.,Wang, Z.,Lin, X.,Qiu, Z.,Hirschfeld, D.R.,Gleason, S.,Mirzadegan, T.,Dunten, P.W.,Harris, S.F.,Villasenor, A.G.,Hang, J.Q.,Heilek, G.M.,Klumpp, K.
Discovery of piperidin-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-benzyl derivatives with broad potency against resistant mutant viruses.
Bioorg.Med.Chem.Lett., 20:4215-4218, 2010

PubMed Abstract: An analysis of the binding motifs of known HIV-1 non-nucleoside reverse transcriptase inhibitors has led to discovery of novel piperidine-linked aminopyrimidine derivatives with broad activity against wild-type as well as drug-resistant mutant viruses. Notably, the series retains potency against the K103N/Y181C and Y188L mutants, among others. Thus, the N-benzyl compound 5k has a particularly attractive profile. Synthesis and SAR are presented and discussed, as well as crystal structures relating to the binding motifs.

PubMed: 20538456
DOI: 10.1016/j.bmcl.2010.05.040

実験手法

X-RAY DIFFRACTION (2.67 Å)