3FW3

Crystal Structure of soluble domain of CA4 in complex with Dorzolamide

3FW3 の概要

• エントリーDOI: 10.2210/pdb3fw3/pdb
• 関連するPDBエントリー: 3F7B 3F7U
• 分子名称: Carbonic anhydrase 4, ZINC ION, (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, ... (6 entities in total)
• 機能のキーワード: structure-based drug design. small molecule complex. co-crystal, cell membrane, disease mutation, glycoprotein, gpi-anchor, lipoprotein, lyase, membrane, metal-binding, polymorphism, retinitis pigmentosa, sensory transduction, vision, zinc
• 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: 61880.93

構造登録者

Greasley, S.E.,Ferre, R.A.A.,Paz, R.,Wickersham, J. (登録日: 2009-01-16, 公開日: 2009-12-01, 最終更新日: 2024-11-06)

主引用文献

Vernier, W.,Chong, W.,Rewolinski, D.,Greasley, S.,Pauly, T.,Shaw, M.,Dinh, D.,Ferre, R.A.,Nukui, S.,Ornelas, M.,Reyner, E.
Thioether benzenesulfonamide inhibitors of carbonic anhydrases II and IV: structure-based drug design, synthesis, and biological evaluation.
Bioorg.Med.Chem., 18:3307-3319, 2010

PubMed Abstract: A novel series of potent thioether benzenesulfonamide inhibitors of carbonic anhydrases II and IV was discovered using structure-based drug design. Synthesis, structure-activity relationship, and optimization of physicochemical properties are described. Low nanomolar potency was achieved, and selected compounds with improved thermodynamic solubility showed promising in vitro inhibition of carbonic anhydrase activity in rabbit iris ciliary body homogenate.

PubMed: 20363633
DOI: 10.1016/j.bmc.2010.03.014

実験手法

X-RAY DIFFRACTION (1.72 Å)