4F08
Discovery and Optimization of C-2 Methyl Imidazo-pyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2
Summary for 4F08
Entry DOI | 10.2210/pdb4f08/pdb |
Related | 4EHZ 4EI4 4F09 |
Descriptor | Tyrosine-protein kinase JAK2, 1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine (2 entities in total) |
Functional Keywords | jak2, kinase domain, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
Biological source | Homo sapiens (human) |
Cellular location | Endomembrane system; Peripheral membrane protein (By similarity): O60674 |
Total number of polymer chains | 2 |
Total formula weight | 71455.09 |
Authors | Murray, J.M. (deposition date: 2012-05-03, release date: 2012-07-04, Last modification date: 2023-12-06) |
Primary citation | Zak, M.,Mendonca, R.,Balazs, M.,Barrett, K.,Bergeron, P.,Blair, W.S.,Chang, C.,Deshmukh, G.,Devoss, J.,Dragovich, P.S.,Eigenbrot, C.,Ghilardi, N.,Gibbons, P.,Gradl, S.,Hamman, C.,Hanan, E.J.,Harstad, E.,Hewitt, P.R.,Hurley, C.A.,Jin, T.,Johnson, A.,Johnson, T.,Kenny, J.R.,Koehler, M.F.,Bir Kohli, P.,Kulagowski, J.J.,Labadie, S.,Liao, J.,Liimatta, M.,Lin, Z.,Lupardus, P.J.,Maxey, R.J.,Murray, J.M.,Pulk, R.,Rodriguez, M.,Savage, S.,Shia, S.,Steffek, M.,Ubhayakar, S.,Ultsch, M.,van Abbema, A.,Ward, S.I.,Xiao, L.,Xiao, Y. Discovery and Optimization of C-2 Methyl Imidazopyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2. J.Med.Chem., 55:6176-6193, 2012 Cited by PubMed: 22698084DOI: 10.1021/jm300628c PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.82 Å) |
Structure validation
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