2w17

CDK2 in complex with the imidazole pyrimidine amide, compound (S)-8b

spinqualitylabelsall models 2w17, resolution 2.15Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 2w17 is a 1 chain structure with sequence from Human. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: ACT, I19 NonStd Res: ACE Related: 1pye, 1h08, 2vth, 1v1k, 2b53, 1h25, 1okv, 1ke7, 1pxk, 2bhh, 2uue, 2vta, 1gz8, 1e1v, 1ol2, 1h27, 1jsv, 2b52, 1ke5, 1fin, 2c5o, 2c68, 1p2a, 2vtt, 2c4g, 2vtq, 1w0x, 1h1q, 2w05, 1pxo, 1ke9, 2a0c, 1hck, 1jsu, 1pxn, 2uze, 2vtm, 2v0d, 1oiq, 1h1r, 2iw8, 1gih, 1pw2, 1hcl, 2vtn, 2w06, 1jst, 1oiu, 1b38, 1pxm, 1fq1, 1vyw, 1h1p, 2c69, 1urc, 1pxi, 2c6i, 1ykr, 2uzd, 2c5y, 2c6k, 1wcc, 2j9m, 1vyz, 2vti, 1jvp, 1w98, 1pkd, 1p5e, 2vts, 2c5p, 2uzn, 2b54, 1pxj, 1ke6, 2uzl, 2cci, 2g9x, 2bkz, 1y91, 2iw6, 1gij, 1r78, 1h0v, 2iw9, 1w8c, 1buh, 2bpm, 2bts, 1fvv, 1okw, 2vtp, 2a4l, 2c6t, 1fvt, 1qmz, 2vu3, 2b55, 1ogu, 1pf8, 1h1s, 2jgz, 2c5v, 2bhe, 1urw, 1oiy, 2c6l, 1f5q, 2c6o, 2vtl, 1ol1, 1h01, 2uzb, 1oir, 1oi9, 2vtj, 2cjm, 2c5n, 2c5x, 2c6m, 1oit, 1gy3, 2v22, 1gii, 1di8, 2vv9, 1e9h, 2vto, 1dm2, 1h24, 2uzo, 1h00, 2exm, 2clx, 1pxp, 2cch, 2btr, 1b39, 1aq1, 1h0w, 1ckp, 1g5s, 1ke8, 1pxl, 1h28, 1h26, 2vtr, 1h07, 1e1x, 1y8y Activity: Cyclin-dependent kinase, with EC number 2.7.11.22 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Evolutionary Conservation Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf. Publication Abstract from PubMed The development of a novel series of imidazole pyrimidine amides as cyclin-dependent kinase (CDK) inhibitors is described. Optimisation of inhibitory potency against multiple CDK's (1, 2 and 9) resulted in imidazole pyrimidine amides with potent in vitro anti-proliferative effects against a range of cancer cell lines. Excellent physiochemical properties and large margins against inhibition of CYP isoforms and the hERG ion channel were achieved by modification of lipophilicity and amine basicity. A candidate with disease model activity in human cancer cell line xenografts and with suitable physiochemical and pharmacokinetic profiles for intravenous (i.v.) dosing was selected for further development as AZD5597. The discovery of AZD5597, a potent imidazole pyrimidine amide CDK inhibitor suitable for intravenous dosing.,Jones CD, Andrews DM, Barker AJ, Blades K, Daunt P, East S, Geh C, Graham MA, Johnson KM, Loddick SA, McFarland HM, McGregor A, Moss L, Rudge DA, Simpson PB, Swain ML, Tam KY, Tucker JA, Walker M Bioorg Med Chem Lett. 2008 Dec 15;18(24):6369-73. Epub 2008 Oct 25. PMID:18996007 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Cyclin-dependent kinase

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