3OCG
P38 Alpha kinase complexed with a 5-amino-pyrazole based inhibitor
Summary for 3OCG
| Entry DOI | 10.2210/pdb3ocg/pdb |
| Descriptor | Mitogen-activated protein kinase 14, 5-amino-N-[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]-1-phenyl-1H-pyrazole-4-carboxamide (3 entities in total) |
| Functional Keywords | p38 map kinase, serine/threonine-protein kinase, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
| Biological source | Homo sapiens (human) |
| Total number of polymer chains | 1 |
| Total formula weight | 42507.41 |
| Authors | Sack, J.S. (deposition date: 2010-08-10, release date: 2010-11-17, Last modification date: 2024-02-21) |
| Primary citation | Das, J.,Moquin, R.V.,Dyckman, A.J.,Li, T.,Pitt, S.,Zhang, R.,Shen, D.R.,McIntyre, K.W.,Gillooly, K.,Doweyko, A.M.,Newitt, J.A.,Sack, J.S.,Zhang, H.,Kiefer, S.E.,Kish, K.,McKinnon, M.,Barrish, J.C.,Dodd, J.H.,Schieven, G.L.,Leftheris, K. 5-Amino-pyrazoles as potent and selective p38α inhibitors Bioorg.Med.Chem.Lett., 20:6886-6889, 2010 Cited by PubMed Abstract: The synthesis and structure-activity relationships (SAR) of p38α MAP kinase inhibitors based on a 5-amino-pyrazole scaffold are described. These studies led to the identification of compound 2j as a potent and selective inhibitor of p38α MAP kinase with excellent cellular potency toward the inhibition of TNFα production. Compound 2j was highly efficacious in vivo in inhibiting TNFα production in an acute murine model of TNFα production. X-ray co-crystallography of a 5-amino-pyrazole analog 2f bound to unphosphorylated p38α is also disclosed. PubMed: 21035336DOI: 10.1016/j.bmcl.2010.10.034 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.21 Å) |
Structure validation
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