PDB Entry - 5F4N

(Status - Released)

Summary information:

Title: Multi-parameter lead optimization to give an oral CHK1 inhibitor clinical candidate: (R)-5-((4-((morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737)

PDB DOI: https://doi.org/10.2210/pdb5f4n/pdb

Primary publication DOI: https://doi.org/10.1021/acs.jmedchem.5b01938

Entry authors: Collins, I., Garrett, M.D., van Montfort, R., Osborne, J.D., Matthews, T.P., McHardy, T., Proisy, N., Cheung, K.J., 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., Westwood, I.M., Jamin, Y., Robinson, S.P., Leonard, P., Reader, J.C., Aherne, G.W., Raynaud, F.I., Eccles, S.A.

Initial deposition on: 3 December 2015

Initial release on: 25 May 2016

Latest revision on: 22 June 2016

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Structure coordinates (PDBx/mmCIF)

Structure coordinates (PDBML)

Structure coordinates (PDB)

X-ray diffraction data (PDBx/mmCIF)

Validation report (PDF)

Validation report (XML)

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