6TPD

Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity

Summary for 6TPD

Entry DOI	10.2210/pdb6tpd/pdb
Descriptor	Tyrosine-protein kinase JAK2, 3-methyl-4-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one (3 entities in total)
Functional Keywords	inhibitor, complex, transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	34181.13
Authors	Hansen, B.B.,Jepsen, T.J.,Larsen, M.,Sindet, R.,Vifian, T.,Burhardt, M.N.,Larsen, J.,Seitzberg, J.G.,Carnerup, M.A.,Jerre, A.,Moelck, C.,Rai, S.,Nasipireddy, V.R.,Ritzen, A. (deposition date: 2019-12-13, release date: 2020-06-10, Last modification date: 2024-01-24)
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: 32462873 DOI: 10.1021/acs.jmedchem.0c00359 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.99 Å)

Structure validation