6TNR

PI3K delta in complex with N[5(7{2[4(2hydroxypropan2yl)piperidin1 yl]ethoxy}1,3dihydro2benzofuran5yl)2 methoxypyridin3yl]methanesulfonamide

Summary for 6TNR

Entry DOI	10.2210/pdb6tnr/pdb
Descriptor	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[2-methoxy-5-[7-[2-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]methanesulfonamide (3 entities in total)
Functional Keywords	pi3 kinase structure based design, transferase
Biological source	Mus musculus (House mouse)
Total number of polymer chains	1
Total formula weight	108329.29
Authors	Convery, M.A.,Rowland, P.,Henley, Z.A.,Barton, N.,Down, K. (deposition date: 2019-12-10, release date: 2020-01-01, Last modification date: 2021-09-29)
Primary citation	Henley, Z.A.,Amour, A.,Barton, N.,Bantscheff, M.,Bergamini, G.,Bertrand, S.M.,Convery, M.,Down, K.,Dumpelfeld, B.,Edwards, C.D.,Grandi, P.,Gore, P.M.,Keeling, S.,Livia, S.,Mallett, D.,Maxwell, A.,Price, M.,Rau, C.,Reinhard, F.B.M.,Rowedder, J.,Rowland, P.,Taylor, J.A.,Thomas, D.A.,Hessel, E.M.,Hamblin, J.N. Optimization of Orally Bioavailable PI3K delta Inhibitors and Identification of Vps34 as a Key Selectivity Target. J.Med.Chem., 63:638-655, 2020 Cited by PubMed: 31855425 DOI: 10.1021/acs.jmedchem.9b01585 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.9 Å)

Structure validation