5L72

PI3 kinase delta in complex with N-[6-(5-methanesulfonamido-6-methoxypyridin-3-yl)-1,3-dihydro-2-benzofuran-4-yl]-2-(morpholin-4-yl)acetamide

Summary for 5L72

• Entry DOI: 10.2210/pdb5l72/pdb
• Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, N-[6-(5-methanesulfonamido-6-methoxypyridin-3-yl)-1,3-dihydro-2-benzofuran-4-yl]-2-(morpholin-4-yl)acetamide (3 entities in total)
• Functional Keywords: pi3 kinase delta, transferase
• Biological source: Mus musculus (Mouse)
• Total number of polymer chains: 1
• Total formula weight: 108284.17

Authors

Rowland, P. (deposition date: 2016-06-01, release date: 2016-07-27, Last modification date: 2024-06-19)

Primary citation

Amour, A.,Barton, N.,Cooper, A.W.,Inglis, G.,Jamieson, C.,Luscombe, C.N.,Morrell, J.,Peace, S.,Perez, D.,Rowland, P.,Tame, C.,Uddin, S.,Vitulli, G.,Wellaway, N.
Evolution of a Novel, Orally Bioavailable Series of PI3K delta Inhibitors from an Inhaled Lead for the Treatment of Respiratory Disease.
J.Med.Chem., 59:7239-7251, 2016

PubMed Abstract: A four-step process of high-quality modeling of existing data, deconstruction, identification of replacement cores, and an innovative synthetic regrowth strategy led to the rapid discovery of a novel oral series of PI3Kδ inhibitors with promising selectivity and excellent in vivo characteristics.

PubMed: 27429068
DOI: 10.1021/acs.jmedchem.6b00799

Experimental method

X-RAY DIFFRACTION (3.06 Å)