6FTN
mPI3Kd IN COMPLEX WITH AZ2
Summary for 6FTN
| Entry DOI | 10.2210/pdb6ftn/pdb |
| Descriptor | Phosphor inositol 3 kinase, ~{N}-[5-[2-[(1~{S})-1-cyclopropylethyl]-7-methyl-1-oxidanylidene-3~{H}-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide (3 entities in total) |
| Functional Keywords | mi3kd, transferase |
| Biological source | Mus musculus (house mouse) |
| Total number of polymer chains | 1 |
| Total formula weight | 108136.09 |
| Authors | Petersen, J. (deposition date: 2018-02-22, release date: 2018-06-20, Last modification date: 2024-05-01) |
| Primary citation | Pemberton, N.,Mogemark, M.,Arlbrandt, S.,Bold, P.,Cox, R.J.,Gardelli, C.,Holden, N.S.,Karabelas, K.,Karlsson, J.,Lever, S.,Li, X.,Lindmark, H.,Norberg, M.,Perry, M.W.D.,Petersen, J.,Rodrigo Blomqvist, S.,Thomas, M.,Tyrchan, C.,Westin Eriksson, A.,Zlatoidsky, P.,Oster, L. Discovery of Highly Isoform Selective Orally Bioavailable Phosphoinositide 3-Kinase (PI3K)-gamma Inhibitors. J. Med. Chem., 61:5435-5441, 2018 Cited by PubMed Abstract: In this paper, we describe the discovery and optimization of a new chemotype of isoform selective PI3Kγ inhibitors. Starting from an HTS hit, potency and physicochemical properties could be improved to give compounds such as 15, which is a potent and remarkably selective PI3Kγ inhibitor with ADME properties suitable for oral administration. Compound 15 was advanced into in vivo studies showing dose-dependent inhibition of LPS-induced airway neutrophilia in rats when administered orally. PubMed: 29852070DOI: 10.1021/acs.jmedchem.8b00447 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2 Å) |
Structure validation
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