Discovery of 2-Pyridyl Ureas as Glucokinase Activators

Summary for 4RCH

Related4MLE 4MLH
DescriptorGlucokinase, ALPHA-D-GLUCOSE, 1-{3-[(2-ethylpyridin-3-yl)oxy]-5-(pyridin-2-ylsulfanyl)pyridin-2-yl}-3-methylurea, ... (4 entities in total)
Functional Keywordstransferase
Biological sourceHomo sapiens (human)
Cellular locationCytoplasm  P35557
Total number of polymer chains1
Total molecular weight53587.83
Voegtli, W.,Vigers, G.P.A. (deposition date: 2014-09-16, release date: 2014-10-08, Last modification date: 2014-10-22)
Primary citation
Hinklin, R.J.,Aicher, T.D.,Anderson, D.A.,Baer, B.R.,Boyd, S.A.,Condroski, K.R.,DeWolf, W.E.,Kraser, C.F.,McVean, M.,Rhodes, S.P.,Sturgis, H.L.,Voegtli, W.C.,Williams, L.,Houze, J.B.
Discovery of 2-pyridylureas as glucokinase activators.
J.Med.Chem., 57:8180-8186, 2014
PubMed: 25203462 (PDB entries with the same primary citation)
DOI: 10.1021/jm501204z
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.25550.7%7.0%3.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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