4AQ3

HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR

4AQ3 の概要

• エントリーDOI: 10.2210/pdb4aq3/pdb
• 関連するPDBエントリー: 1BXL 1G5J 1G5M 1GJH 1LXL 1MAZ 1R2D 1R2E 1R2G 1R2H 1R2I 1YSG 1YSI 1YSN 1YSW 2B48 2W3L 2XA0 2YJ1 4A1U 4A1W
• 分子名称: APOPTOSIS REGULATOR BCL-2, BCL-2-LIKE PROTEIN 1, N,N-dibutyl-4-chloranyl-1-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-[(7-iodanylnaphthalen-2-yl)sulfonylcarbamoyl]phenyl]-5-methyl-pyrazole-3-carboxamide (2 entities in total)
• 機能のキーワード: apoptosis, chimera
• 由来する生物種: HOMO SAPIENS (HUMAN)
• 細胞内の位置: Mitochondrion outer membrane; Single-pass membrane protein: P10415
• タンパク質・核酸の鎖数: 6
• 化学式量合計: 122255.24

構造登録者

Bertrand, J.A.,Fasolini, M.,Modugno, M. (登録日: 2012-04-12, 公開日: 2012-06-06, 最終更新日: 2024-05-01)

主引用文献

Perez, H.L.,Banfi, P.,Bertrand, J.A.,Cai, Z.W.,Grebinski, J.W.,Kim, K.,Lippy, J.,Modugno, M.,Naglich, J.,Schmidt, R.J.,Tebben, A.,Vianello, P.,Wei, D.D.,Zhang, L.,Galvani, A.,Lombardo, L.J.,Borzilleri, R.M.
Identification of a Phenylacylsulfonamide Series of Dual Bcl-2/Bcl-Xl Antagonists.
Bioorg.Med.Chem.Lett., 22:3946-, 2012

PubMed Abstract: A series of phenylacylsulfonamides has been prepared as antagonists of Bcl-2/Bcl-xL. In addition to potent binding affinities for both Bcl-2 and Bcl-xL, these compounds were shown to induce classical markers of apoptosis in isolated mitochondria. Overall weak cellular potency was improved by the incorporation of polar functionality resulting in compounds with moderate antiproliferative activity.

PubMed: 22608961
DOI: 10.1016/J.BMCL.2012.04.103

実験手法

X-RAY DIFFRACTION (2.4 Å)