4AQ3

HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR

Summary for 4AQ3

• Entry DOI: 10.2210/pdb4aq3/pdb
• Related: 1BXL 1G5J 1G5M 1GJH 1LXL 1MAZ 1R2D 1R2E 1R2G 1R2H 1R2I 1YSG 1YSI 1YSN 1YSW 2B48 2W3L 2XA0 2YJ1 4A1U 4A1W
• Descriptor: 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)
• Functional Keywords: apoptosis, chimera
• Biological source: HOMO SAPIENS (HUMAN)
• Cellular location: Mitochondrion outer membrane; Single-pass membrane protein: P10415
• Total number of polymer chains: 6
• Total formula weight: 122255.24

Authors

Bertrand, J.A.,Fasolini, M.,Modugno, M. (deposition date: 2012-04-12, release date: 2012-06-06, Last modification date: 2024-05-01)

Primary citation

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

Experimental method

X-RAY DIFFRACTION (2.4 Å)