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; PubMed: 32462873; DOI: 10.1021/acs.jmedchem.0c00359

Experimental method

X-RAY DIFFRACTION (2.87 Å)