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: 2024-06-19) |
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: 31855425DOI: 10.1021/acs.jmedchem.9b01585 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.9 Å) |
Structure validation
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