4LVG

Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)

4LVG の概要

• エントリーDOI: 10.2210/pdb4lvg/pdb
• 関連するPDBエントリー: 4LV9 4LVA 4LVB 4LVD 4LVF 4M6P 4M6Q
• 分子名称: Nicotinamide phosphoribosyltransferase, (1S,2S)-N-[4-(phenylsulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropanecarboxamide, PHOSPHATE ION, ... (5 entities in total)
• 機能のキーワード: transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Nucleus : P43490
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 115832.14

構造登録者

Giannetti, A.M.,Zheng, X.,Skelton, N.,Wang, W.,Bravo, B.,Feng, Y.,Gunzner-Toste, J.,Ho, Y.,Hua, R.,Wang, C.,Zhao, Q.,Liederer, B.M.,Liu, Y.,O'Brien, T.,Oeh, J.,Sampath, D.,Shen, Y.,Wang, L.,Wu, H.,Xiao, Y.,Yuen, P.,Zak, M.,Zhao, G.,Dragovich, P.S. (登録日: 2013-07-26, 公開日: 2013-09-25, 最終更新日: 2024-02-28)

• 主引用文献: Zheng, X.,Bair, K.W.,Bauer, P.,Baumeister, T.,Bowman, K.K.,Buckmelter, A.J.,Caligiuri, M.,Clodfelter, K.H.,Feng, Y.,Han, B.,Ho, Y.C.,Kley, N.,Li, H.,Liang, X.,Liederer, B.M.,Lin, J.,Ly, J.,O'Brien, T.,Oeh, J.,Oh, A.,Reynolds, D.J.,Sampath, D.,Sharma, G.,Skelton, N.,Smith, C.C.,Tremayne, J.,Wang, L.,Wang, W.,Wang, Z.,Wu, H.,Wu, J.,Xiao, Y.,Yang, G.,Yuen, P.W.,Zak, M.,Dragovich, P.S.; Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).; Bioorg.Med.Chem.Lett., 23:5488-5497, 2013; PubMed: 24021463; DOI: 10.1016/j.bmcl.2013.08.074

実験手法

X-RAY DIFFRACTION (1.702 Å)