Summary for 3L8X
| Entry DOI | 10.2210/pdb3l8x/pdb |
| Descriptor | Mitogen-activated protein kinase 14, N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide (3 entities in total) |
| Functional Keywords | p38 map kinase, serine/threonine-protein kinase, transferase |
| Biological source | Homo sapiens (human) |
| Total number of polymer chains | 1 |
| Total formula weight | 42463.40 |
| Authors | Sack, J.S. (deposition date: 2010-01-04, release date: 2010-03-02, Last modification date: 2024-02-21) |
| Primary citation | Das, J.,Moquin, R.V.,Pitt, S.,Zhang, R.,Shen, D.R.,Mcintyre, K.W.,Gillooly, K.,Doweyko, A.M.,Sack, J.S.,Zhang, H.,Kiefer, S.E.,Kish, K.,Mckinnon, M.,Barrish, J.C.,Dodd, J.H.,Schieven, G.L.,Leftheris, K. Pyrazolo-Pyrimidines: A Novel Heterocyclic Scaffold for Potent and Selective P38 Alpha Inhibitors. Bioorg.Med.Chem.Lett., 18:2652-, 2008 Cited by PubMed Abstract: The synthesis and structure-activity relationships (SAR) of p38 alpha MAP kinase inhibitors based on a pyrazolo-pyrimidine scaffold are described. These studies led to the identification of compound 2x as a potent and selective inhibitor of p38 alpha MAP kinase with excellent cellular potency toward the inhibition of TNFalpha production. Compound 2x was highly efficacious in vivo in inhibiting TNFalpha production in an acute murine model of TNFalpha production. X-ray co-crystallography of a pyrazolo-pyrimidine analog 2b bound to unphosphorylated p38 alpha is also disclosed. PubMed: 18359226DOI: 10.1016/J.BMCL.2008.03.019 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.4 Å) |
Structure validation
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