3r02 | pdb_00003r02

The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors

spinqualitylabelsall models 3r02, resolution 1.95Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 3r02 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: IMD, UNM Related: 3r00, 3r01, 3r04 Gene: PIM1 (Homo sapiens) Activity: Non-specific serine/threonine protein kinase, with EC number 2.7.11.1 Resources: FirstGlance, OCA, RCSB, PDBsum Publication Abstract from PubMed Novel benzofuran-2-carboxylic acids, exemplified by 29, 38 and 39, have been discovered as potent Pim-1 inhibitors using fragment based screening followed by X-ray structure guided medicinal chemistry optimization. The compounds demonstrate potent inhibition against Pim-1 and Pim-2 in enzyme assays. Compound 29 has been tested in the Ambit 442 kinase panel and demonstrates good selectivity for the Pim kinase family. X-ray structures of the inhibitor/Pim-1 binding complex reveal important salt-bridge and hydrogen bond interactions mediated by the compound's carboxylic acid and amino groups. The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors.,Xiang Y, Hirth B, Asmussen G, Biemann HP, Bishop KA, Good A, Fitzgerald M, Gladysheva T, Jain A, Jancsics K, Liu J, Metz M, Papoulis A, Skerlj R, Stepp JD, Wei RR Bioorg Med Chem Lett. 2011 May 15;21(10):3050-6. Epub 2011 Mar 16. PMID:21507633 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Proto-oncogene serine/threonine-protein kinase

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