4YTI

Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Disease

Summary for 4YTI

• Entry DOI: 10.2210/pdb4yti/pdb
• Related: 4YTC 4YTF 4YTH
• Descriptor: Tyrosine-protein kinase JAK2, (2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-[2,2,2-tris(fluoranyl)ethyl]butanamide (3 entities in total)
• Functional Keywords: janus kinase, jak2, jak3, kinase, inhibitor, autoimmune, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Endomembrane system ; Peripheral membrane protein : O60674
• Total number of polymer chains: 1
• Total formula weight: 35286.10

Authors

Zuccola, H.J.,Ledeboer, M. (deposition date: 2015-03-17, release date: 2015-08-12, Last modification date: 2015-10-07)

• Primary citation: Farmer, L.J.,Ledeboer, M.W.,Hoock, T.,Arnost, M.J.,Bethiel, R.S.,Bennani, Y.L.,Black, J.J.,Brummel, C.L.,Chakilam, A.,Dorsch, W.A.,Fan, B.,Cochran, J.E.,Halas, S.,Harrington, E.M.,Hogan, J.K.,Howe, D.,Huang, H.,Jacobs, D.H.,Laitinen, L.M.,Liao, S.,Mahajan, S.,Marone, V.,Martinez-Botella, G.,McCarthy, P.,Messersmith, D.,Namchuk, M.,Oh, L.,Penney, M.S.,Pierce, A.C.,Raybuck, S.A.,Rugg, A.,Salituro, F.G.,Saxena, K.,Shannon, D.,Shlyakter, D.,Swenson, L.,Tian, S.K.,Town, C.,Wang, J.,Wang, T.,Wannamaker, M.W.,Winquist, R.J.,Zuccola, H.J.; Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.; J.Med.Chem., 58:7195-7216, 2015; PubMed: 26230873; DOI: 10.1021/acs.jmedchem.5b00301

Experimental method

X-RAY DIFFRACTION (2.52 Å)