5EH0
Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach
Summary for 5EH0
Entry DOI | 10.2210/pdb5eh0/pdb |
Descriptor | Dual specificity protein kinase TTK, N2-(2-Methoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl)-N8-neopentylpyrido[3,4-d]pyrimidine-2,8-diamine, DIMETHYL SULFOXIDE, ... (4 entities in total) |
Functional Keywords | spindle assembly checkpoint (sac), oncology target pyrido[3, 4-d]pyrimidine based inhibitors selective against mps1, transferase |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 1 |
Total formula weight | 32740.72 |
Authors | Innocenti, P.,Woodward, H.L.,Solanki, S.,Naud, N.,Westwood, I.M.,Cronin, N.,Hayes, A.,Roberts, J.,Henley, A.T.,Baker, R.,Faisal, A.,Mak, G.,Box, G.,Valenti, M.,De Haven Brandon, A.,O'Fee, L.,Saville, J.,Schmitt, J.,Burke, R.,van Montfort, R.L.M.,Raymaud, F.I.,Eccles, S.A.,Linardopoulos, S.,Blagg, J.,Hoelder, S. (deposition date: 2015-10-27, release date: 2016-04-20, Last modification date: 2024-05-08) |
Primary citation | Innocenti, P.,Woodward, H.L.,Solanki, S.,Naud, S.,Westwood, I.M.,Cronin, N.,Hayes, A.,Roberts, J.,Henley, A.T.,Baker, R.,Faisal, A.,Mak, G.W.,Box, G.,Valenti, M.,De Haven Brandon, A.,O'Fee, L.,Saville, H.,Schmitt, J.,Matijssen, B.,Burke, R.,van Montfort, R.L.,Raynaud, F.I.,Eccles, S.A.,Linardopoulos, S.,Blagg, J.,Hoelder, S. Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach. J.Med.Chem., 59:3671-3688, 2016 Cited by PubMed: 27055065DOI: 10.1021/acs.jmedchem.5b01811 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.18 Å) |
Structure validation
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