4GR9

Synthesis of novel MT3 receptor ligands via unusual Knoevenagel condensation

4GR9 の概要

• エントリーDOI: 10.2210/pdb4gr9/pdb
• 関連するPDBエントリー: 4GQI
• 分子名称: Ribosyldihydronicotinamide dehydrogenase [quinone], ZINC ION, FLAVIN-ADENINE DINUCLEOTIDE, ... (6 entities in total)
• 機能のキーワード: melatonin analog, oxidoreductase
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cytoplasm: P16083
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 53979.21

構造登録者

Volkova, M.S.,Jensen, K.C.,Lozinskaya, N.A.,Sosonyuk, S.E.,Proskurnina, M.V.,Mesecar, A.D.,Zefirov, N.S. (登録日: 2012-08-24, 公開日: 2013-07-10, 最終更新日: 2024-02-28)

主引用文献

Volkova, M.S.,Jensen, K.C.,Lozinskaya, N.A.,Sosonyuk, S.E.,Proskurnina, M.V.,Mesecar, A.D.,Zefirov, N.S.
Synthesis of novel МТ3 receptor ligands via an unusual Knoevenagel condensation.
Bioorg.Med.Chem.Lett., 22:7578-7581, 2012

PubMed Abstract: New 5-acetamido-substituted melatonin derivatives were efficiently synthesized in excellent yields via Knoevenagel condensation. The relative binding affinity of new synthesized compounds to MT3 receptor was tested via enzymatic assays and the X-ray structures of the most potent compounds were determined in complex with MT3.

PubMed: 23131339
DOI: 10.1016/j.bmcl.2012.10.005

実験手法

X-RAY DIFFRACTION (2.291 Å)