6TPE
Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity
Summary for 6TPE
Entry DOI | 10.2210/pdb6tpe/pdb |
Descriptor | Tyrosine-protein kinase JAK1, 2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile (2 entities in total) |
Functional Keywords | janus kinase, inhibitor, complex, proteros biostructures gmbh, transferase |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 2 |
Total formula weight | 67777.32 |
Authors | Hansen, B.B.,Jepsen, T.H.,Larsen, M.,Sindet, R.,Vifian, T.,Burhardt, M.N.,Larsen, J.,Seitzberg, J.G.,Carnerup, M.A.,Jerre, A.,Molck, C.,Rai, S.,Nasipireddy, V.R.,Jestel, A.,Lammens, A.,Ritzen, A. (deposition date: 2019-12-13, release date: 2020-06-10, Last modification date: 2020-07-22) |
Primary citation | Hansen, B.B.,Jepsen, T.H.,Larsen, M.,Sindet, R.,Vifian, T.,Burhardt, M.N.,Larsen, J.,Seitzberg, J.G.,Carnerup, M.A.,Jerre, A.,Molck, C.,Lovato, P.,Rai, S.,Nasipireddy, V.R.,Ritzen, A. Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity. J.Med.Chem., 63:7008-7032, 2020 Cited by PubMed: 32462873DOI: 10.1021/acs.jmedchem.0c00359 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.87 Å) |
Structure validation
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