| Structural highlights
3u8w is a 1 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
| | Ligands: |
| | Related: | 3lhj, 3itz, 3gfe, 1yqj, 3dt1, 3ds6 |
| Gene: | MAPK14, CSBP, CSBP1, CSBP2, CSPB1, MXI2 (Homo sapiens) |
| Activity: | Mitogen-activated protein kinase, with EC number 2.7.11.24 |
| Resources: | FirstGlance, OCA, RCSB, PDBsum |
Publication Abstract from PubMed
Structure-activity relationship (SAR) investigations of a novel class of triazolopyridazinone p38alpha mitogen activated protein kinase (MAPK) inhibitors are disclosed. From these studies, increased in vitro potency was observed for 2,6-disubstituted phenyl moieties and N-ethyl triazolopyridazinone cores due to key contacts with Leu108, Ala157 and Val38. Further investigation led to the identification of three compounds, 3g, 3j and 3m that are highly potent inhibitors of LPS-induced MAPKAP kinase 2 (MK2) phosphorylation in 50% human whole blood (hWB), and possess desirable in vivo pharmacokinetic and kinase selectivity profiles.
Identification of triazolopyridazinones as potent p38alpha inhibitors.,Herberich B, Jackson C, Wurz RP, Pettus LH, Sherman L, Liu Q, Henkle B, Saris CJ, Wong LM, Chmait S, Lee MR, Mohr C, Hsieh F, Tasker AS Bioorg Med Chem Lett. 2012 Jan 15;22(2):1226-9. Epub 2011 Nov 23. PMID:22196117[1]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
See Also
References
- ↑ Herberich B, Jackson C, Wurz RP, Pettus LH, Sherman L, Liu Q, Henkle B, Saris CJ, Wong LM, Chmait S, Lee MR, Mohr C, Hsieh F, Tasker AS. Identification of triazolopyridazinones as potent p38alpha inhibitors. Bioorg Med Chem Lett. 2012 Jan 15;22(2):1226-9. Epub 2011 Nov 23. PMID:22196117 doi:10.1016/j.bmcl.2011.11.067
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