6EVR

Crystal structure of human carbonic anhydrase I in complex with the 4-(4 acetyl-3-benzylpiperazine-1 carbonyl)benzene-1-sulfonamide inhibitor

6EVR の概要

• エントリーDOI: 10.2210/pdb6evr/pdb
• 分子名称: Carbonic anhydrase 1, ZINC ION, 4-[(3~{S})-4-ethanoyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide, ... (6 entities in total)
• 機能のキーワード: inhibitor, complex, lyase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 58989.38

構造登録者

Ferraroni, M.,Supuran, C.T.,Chiapponi, D.,Chiaramonte, N. (登録日: 2017-11-02, 公開日: 2018-06-06, 最終更新日: 2024-01-17)

• 主引用文献: Chiaramonte, N.,Bua, S.,Ferraroni, M.,Nocentini, A.,Bonardi, A.,Bartolucci, G.,Durante, M.,Lucarini, L.,Chiapponi, D.,Dei, S.,Manetti, D.,Teodori, E.,Gratteri, P.,Masini, E.,Supuran, C.T.,Romanelli, M.N.; 2-Benzylpiperazine: A new scaffold for potent human carbonic anhydrase inhibitors. Synthesis, enzyme inhibition, enantioselectivity, computational and crystallographic studies and in vivo activity for a new class of intraocular pressure lowering agents.; Eur J Med Chem, 151:363-375, 2018; PubMed: 29635168; DOI: 10.1016/j.ejmech.2018.04.002

実験手法

X-RAY DIFFRACTION (1.5 Å)