4C4E
Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1
Summary for 4C4E
Entry DOI | 10.2210/pdb4c4e/pdb |
Related | 4C4F 4C4G 4C4H 4C4I 4C4J |
Descriptor | DUAL SPECIFICITY PROTEIN KINASE TTK, N-(3,4-dimethoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine, PENTAETHYLENE GLYCOL, ... (5 entities in total) |
Functional Keywords | transferase, mps1, ttk, protein kinase, mitosis, structure-based design |
Biological source | HOMO SAPIENS (HUMAN) |
Total number of polymer chains | 1 |
Total formula weight | 38010.41 |
Authors | Naud, S.,Westwood, I.M.,Faisal, A.,Sheldrake, P.,Bavetsias, V.,Atrash, B.,Liu, M.,Hayes, A.,Schmitt, J.,Wood, A.,Choi, V.,Boxall, K.,Mak, G.,Gurden, M.,Valenti, M.,de Haven Brandon, A.,Henley, A.,Baker, R.,McAndrew, C.,Matijssen, B.,Burke, R.,Eccles, S.A.,Raynaud, F.I.,Linardopoulos, S.,van Montfort, R.,Blagg, J. (deposition date: 2013-09-05, release date: 2013-12-04, Last modification date: 2023-12-20) |
Primary citation | Naud, S.,Westwood, I.M.,Faisal, A.,Sheldrake, P.W.,Bavetsias, V.,Atrash, B.,Cheung, K.J.,Liu, M.,Hayes, A.,Schmitt, J.,Wood, A.,Choi, V.,Boxall, K.,Mak, G.,Gurden, M.,Valenti, M.,De-Haven-Brandon, A.,Henley, A.,Baker, R.,Mcandrew, C.,Matijssen, B.,Burke, R.,Hoelder, S.,Eccles, S.A.,Raynaud, F.I.,Linardopoulos, S.,Van Montfort, R.L.M.,Blagg, J. Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1). J.Med.Chem., 56:10045-, 2013 Cited by PubMed: 24256217DOI: 10.1021/JM401395S PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.6 Å) |
Structure validation
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