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Title | The Identification and Pharmacological Characterization of 6-(tert-Butylsulfonyl)-N-(5-fluoro-1H-indazol-3-yl)quinolin-4-amine (GSK583), a Highly Potent and Selective Inhibitor of RIP2 Kinase. |
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Journal, issue, pages | J. Med. Chem., Vol. 59, Page 4867-4880, Year 2016 |
Publish date | Apr 6, 2016 (structure data deposition date) |
Authors | Haile, P.A. / Votta, B.J. / Marquis, R.W. / Bury, M.J. / Mehlmann, J.F. / Singhaus, R. / Charnley, A.K. / Lakdawala, A.S. / Convery, M.A. / Lipshutz, D.B. ...Haile, P.A. / Votta, B.J. / Marquis, R.W. / Bury, M.J. / Mehlmann, J.F. / Singhaus, R. / Charnley, A.K. / Lakdawala, A.S. / Convery, M.A. / Lipshutz, D.B. / Desai, B.M. / Swift, B. / Capriotti, C.A. / Berger, S.B. / Mahajan, M.K. / Reilly, M.A. / Rivera, E.J. / Sun, H.H. / Nagilla, R. / Beal, A.M. / Finger, J.N. / Cook, M.N. / King, B.W. / Ouellette, M.T. / Totoritis, R.D. / Pierdomenico, M. / Negroni, A. / Stronati, L. / Cucchiara, S. / Ziokowski, B. / Vossenkamper, A. / MacDonald, T.T. / Gough, P.J. / Bertin, J. / Casillas, L.N. |
External links | J. Med. Chem. / PubMed:27109867 |
Methods | X-ray diffraction |
Resolution | 2.53 - 2.69 Å |
Structure data | PDB-5j79: PDB-5j7b: |
Chemicals | ChemComp-6GE: ChemComp-SO4: ChemComp-HOH: ChemComp-6GD: |
Source |
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Keywords | Transferase/Transferase Inhibitor / kinase domain / kinase inhibitor / structure-based drug design / inhibitor selectivity / Transferase-Transferase Inhibitor complex |