6Q74

PI3K delta in complex with 1benzylN[5(3,6dihydro2Hpyran4yl)2methoxypyridin3yl]2methyl1Himidazole4sulfonamide

Summary for 6Q74

Entry DOI	10.2210/pdb6q74/pdb
Related	6Q6Y 6Q73
Descriptor	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-pyridin-3-yl]-2-methyl-1-(phenylmethyl)imidazole-4-sulfonamide (3 entities in total)
Functional Keywords	pi3 kinase delta, complex, structure based design, transferase
Biological source	Mus musculus (house mouse)
Total number of polymer chains	1
Total formula weight	108264.18
Authors	Convery, M.A.,Rowland, P.,Down, K.,Barton, N. (deposition date: 2018-12-12, release date: 2018-12-26, Last modification date: 2024-06-19)
Primary citation	Barton, N.,Convery, M.,Cooper, A.W.J.,Down, K.,Hamblin, J.N.,Inglis, G.,Peace, S.,Rowedder, J.,Rowland, P.,Taylor, J.A.,Wellaway, N. Discovery of Potent, Efficient, and Selective Inhibitors of Phosphoinositide 3-Kinase delta through a Deconstruction and Regrowth Approach. J.Med.Chem., 61:11061-11073, 2018 Cited by PubMed Abstract: A deconstruction of previously reported phosphoinositide 3-kinase δ (PI3Kδ) inhibitors and subsequent regrowth led to the identification of a privileged fragment for PI3Kδ, which was exploited to deliver a potent, efficient, and selective lead series with a novel binding mode observed in the PI3Kδ crystal structure. PubMed: 30532965 DOI: 10.1021/acs.jmedchem.8b01556 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.48 Å)

Structure validation