4YTH
Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Diseases
Summary for 4YTH
Entry DOI | 10.2210/pdb4yth/pdb |
Related | 4YTC 4YTF 4YTI |
Descriptor | Tyrosine-protein kinase JAK2, N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)-D-alaninamide (3 entities in total) |
Functional Keywords | jak3 kinase, jak2 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 | 35324.51 |
Authors | Ledeboer, M.W.,Zuccola, H.J. (deposition date: 2015-03-17, release date: 2015-08-12, Last modification date: 2016-07-20) |
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 Cited by PubMed: 26230873DOI: 10.1021/acs.jmedchem.5b00301 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.04 Å) |
Structure validation
Download full validation report