39093-93-1, Name is Thiomorpholine 1,1-dioxide, belongs to Thiomorpholine compound, is a common compound. HPLC of Formula: C4H9NO2SIn an article, once mentioned the new application about 39093-93-1.
Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD)
Discovery of a new class of DFG-out p38alpha kinase inhibitors with no hinge interaction is described. A computationally assisted, virtual fragment-based drug design (vFBDD) platform was utilized to identify novel non-aromatic fragments which make productive hydrogen bond interactions with Arg 70 on the alphaC-helix. Molecules incorporating these fragments were found to be potent inhibitors of p38 kinase. X-ray co-crystal structures confirmed the predicted binding modes. A lead compound was identified as a potent (p38alpha IC50 = 22 nM) and highly selective (?150-fold against 150 kinase panel) DFG-out p38 kinase inhibitor.
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Reference£º
Thiomorpholine – Wikipedia,
Thiomorpholine | C4H9NS – PubChem