5TEL
Pim-1 kinase in complex with a 7-azaindole
Summary for 5TEL
Entry DOI | 10.2210/pdb5tel/pdb |
Descriptor | Serine/threonine-protein kinase pim-1, IMIDAZOLE, 4-chloro-2-{5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indol-3-yl}-1H-pyrrolo[2,3-b]pyridine, ... (4 entities in total) |
Functional Keywords | kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
Biological source | Homo sapiens (Human) |
Cellular location | Isoform 2: Cytoplasm. Isoform 1: Cell membrane: P11309 |
Total number of polymer chains | 1 |
Total formula weight | 32127.92 |
Authors | Mechin, I.,Wang, R.,Batchelor, J.D. (deposition date: 2016-09-22, release date: 2017-10-11, Last modification date: 2024-11-13) |
Primary citation | Barberis, C.,Moorcroft, N.,Arendt, C.,Levit, M.,Moreno-Mazza, S.,Batchelor, J.,Mechin, I.,Majid, T. Discovery of N-substituted 7-azaindoles as PIM1 kinase inhibitors - Part I. Bioorg. Med. Chem. Lett., 27:4730-4734, 2017 Cited by PubMed Abstract: Novel N-substituted azaindoles have been discovered as PIM1 inhibitors. X-ray structures have played a significant role in orienting the chemistry effort in the initial phase of hit confirmation. Disclosure of an unconventional binding mode for 1 and 2, as demonstrated by X-ray crystallography, is presented and was an important factor in selecting and advancing a lead series. PubMed: 28947155DOI: 10.1016/j.bmcl.2017.08.069 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.214 Å) |
Structure validation
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