5T28
mPI3Kd IN COMPLEX WITH 5k
Summary for 5T28
| Entry DOI | 10.2210/pdb5t28/pdb |
| Descriptor | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, 3-(benzotriazol-1-yl)-5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-amine (3 entities in total) |
| Functional Keywords | mi3kd, inhibitor, transferase |
| Biological source | Mus musculus (Mouse) |
| Total number of polymer chains | 1 |
| Total formula weight | 108176.06 |
| Authors | Petersen, J.,Terstige, I.,Perry, M.,Svensson, T.,Tyrchan, C.,Lindmark, H.,Oster, L. (deposition date: 2016-08-23, release date: 2017-04-12, Last modification date: 2024-05-08) |
| Primary citation | Terstiege, I.,Perry, M.,Petersen, J.,Tyrchan, C.,Svensson, T.,Lindmark, H.,Oster, L. Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors. Bioorg. Med. Chem. Lett., 27:679-687, 2017 Cited by PubMed Abstract: A novel class of potent PI3Kδ inhibitors with >1000-fold selectivity against other class I PI3K isoforms is described. Optimization of the substituents on a triazole aminopyrazine scaffold, emerging from an in-house PI3Kα program, turned moderately selective PI3Kδ compounds into highly potent and selective PI3Kδ inhibitors. These efforts resulted in a series of aminopyrazines with PI3Kδ IC⩽1nM in the enzyme assay, some of the most selective PI3Kδ inhibitors published to date, with a cell potency in a JeKo-cell assay of 20-120nM. PubMed: 28017532DOI: 10.1016/j.bmcl.2016.11.004 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.8 Å) |
Structure validation
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