6E0R
hALK in complex with compound 7 N-((1S)-1-(5-fluoropyridin-2-yl)ethyl)-1-(5-methyl-1H-pyrazol-3-yl)-3-(oxetan-3-ylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
Summary for 6E0R
Entry DOI | 10.2210/pdb6e0r/pdb |
Descriptor | ALK tyrosine kinase receptor, N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)-3-[(oxetan-3-yl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-6-amine (3 entities in total) |
Functional Keywords | inhibitor, complex, kinase, sbdd, protein binding |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 1 |
Total formula weight | 36501.86 |
Authors | Lane, W.,Saikatendu, K. (deposition date: 2018-07-06, release date: 2019-05-01, Last modification date: 2024-03-13) |
Primary citation | Fushimi, M.,Fujimori, I.,Wakabayashi, T.,Hasui, T.,Kawakita, Y.,Imamura, K.,Kato, T.,Murakami, M.,Ishii, T.,Kikko, Y.,Kasahara, M.,Nakatani, A.,Hiura, Y.,Miyamoto, M.,Saikatendu, K.,Zou, H.,Lane, S.W.,Lawson, J.D.,Imoto, H. Discovery of Potent, Selective, and Brain-Penetrant 1 H-Pyrazol-5-yl-1 H-pyrrolo[2,3- b]pyridines as Anaplastic Lymphoma Kinase (ALK) Inhibitors. J.Med.Chem., 62:4915-4935, 2019 Cited by PubMed: 31009559DOI: 10.1021/acs.jmedchem.8b01630 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.303 Å) |
Structure validation
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