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Title | Multiparameter Lead Optimization to Give an Oral Checkpoint Kinase 1 (CHK1) Inhibitor Clinical Candidate: (R)-5-((4-((Morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737). |
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Journal, issue, pages | J. Med. Chem., Vol. 59, Page 5221-5237, Year 2016 |
Publish date | Dec 3, 2015 (structure data deposition date) |
![]() | Osborne, J.D. / Matthews, T.P. / McHardy, T. / Proisy, N. / Cheung, K.M. / Lainchbury, M. / Brown, N. / Walton, M.I. / Eve, P.D. / Boxall, K.J. ...Osborne, J.D. / Matthews, T.P. / McHardy, T. / Proisy, N. / Cheung, K.M. / Lainchbury, M. / Brown, N. / Walton, M.I. / Eve, P.D. / Boxall, K.J. / Hayes, A. / Henley, A.T. / Valenti, M.R. / De Haven Brandon, A.K. / Box, G. / Jamin, Y. / Robinson, S.P. / Westwood, I.M. / van Montfort, R.L. / Leonard, P.M. / Lamers, M.B. / Reader, J.C. / Aherne, G.W. / Raynaud, F.I. / Eccles, S.A. / Garrett, M.D. / Collins, I. |
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Methods | X-ray diffraction |
Resolution | 1.91 Å |
Structure data | ![]() PDB-5f4n: |
Chemicals | ![]() ChemComp-5UY: ![]() ChemComp-EDO: ![]() ChemComp-GOL: ![]() ChemComp-HOH: |
Source |
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