A Highly Efficient Approach to a Selective and Cell Active PTP1B inhibitors

Summary for 1Q1M

Related1NL9 1NNY 1NO6 1NZ7 1ONY 1PHO
DescriptorProtein-tyrosine phosphatase, non-receptor type 1, 5-{2-FLUORO-5-[3-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-PROPENYL]-PHENYL}-ISOXAZOLE-3-CARBOXYLIC ACID (3 entities in total)
Functional Keywordsprotein tyrosine phosphatase 1b, ptp1b, inhibitors with isoxazole-salicylate pharmacophores, hydrolase
Biological sourceHomo sapiens (human)
Cellular locationEndoplasmic reticulum membrane ; Peripheral membrane protein ; Cytoplasmic side  P18031
Total number of polymer chains1
Total molecular weight37778.99
Primary citation
Liu, G.,Xin, Z.,Pei, Z.,Hajduk, P.J.,Abad-Zapatero, C.,Hutchins, C.W.,Zhao, H.,Lubben, T.H.,Ballaron, S.J.,Haasch, D.L.,Kaszubska, W.,Rondinone, C.M.,Trevillyan, J.M.,Jirousek, M.R.
Fragment screening and assembly: a highly efficient approach to a selective and cell active protein tyrosine phosphatase 1B inhibitor.
J.Med.Chem., 46:4232-4235, 2003
PubMed: 13678400 (PDB entries with the same primary citation)
DOI: 10.1021/jm034122o
MImport into Mendeley
Experimental method

Structure validation

ClashscoreRamachandran outliersSidechain outliers100.7%1.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload