6NNA

Human Fatty Acid Synthase Psi/KR Tri-Domain with NADPH and Compound 22

6NNA の概要

• エントリーDOI: 10.2210/pdb6nna/pdb
• 分子名称: Fatty acid synthase,Fatty acid synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {4-[4-(1,3-benzoxazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}(1-hydroxycyclopropyl)methanone, ... (5 entities in total)
• 機能のキーワード: fatty acid synthase, human fas, keto-reductase, transferase
• 由来する生物種: Homo sapiens (Human); 詳細
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 147010.77

構造登録者

Toms, A.V.,Martin, M.W. (登録日: 2019-01-14, 公開日: 2019-02-20, 最終更新日: 2024-11-06)

主引用文献

Martin, M.W.,Lancia Jr., D.R.,Li, H.,Schiller, S.E.R.,Toms, A.V.,Wang, Z.,Bair, K.W.,Castro, J.,Fessler, S.,Gotur, D.,Hubbs, S.E.,Kauffman, G.S.,Kershaw, M.,Luke, G.P.,McKinnon, C.,Yao, L.,Lu, W.,Millan, D.S.
Discovery and optimization of novel piperazines as potent inhibitors of fatty acid synthase (FASN).
Bioorg. Med. Chem. Lett., 29:1001-1006, 2019

PubMed Abstract: The discovery, structure-activity relationships, and optimization of a novel class of fatty acid synthase (FASN) inhibitors is reported. High throughput screening identified a series of substituted piperazines with structural features that enable interactions with many of the potency-driving regions of the FASN KR domain binding site. Derived from this series was FT113, a compound with potent biochemical and cellular activity, which translated into excellent activity in in vivo models.

PubMed: 30803804
DOI: 10.1016/j.bmcl.2019.02.012

実験手法

X-RAY DIFFRACTION (2.26 Å)