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TitleIndazole-based potent and cell-active Mps1 kinase inhibitors: rational design from pan-kinase inhibitor anthrapyrazolone (SP600125)
Journal, issue, pagesJ. Med. Chem., Vol. 56, Page 4343-4356, Year 2013
Publish dateNov 14, 2012 (structure data deposition date)
AuthorsKusakabe, K. / Ide, N. / Daigo, Y. / Tachibana, Y. / Itoh, T. / Yamamoto, T. / Hashizume, H. / Hato, Y. / Higashino, K. / Okano, Y. ...Kusakabe, K. / Ide, N. / Daigo, Y. / Tachibana, Y. / Itoh, T. / Yamamoto, T. / Hashizume, H. / Hato, Y. / Higashino, K. / Okano, Y. / Sato, Y. / Inoue, M. / Iguchi, M. / Kanazawa, T. / Ishioka, Y. / Dohi, K. / Kido, Y. / Sakamoto, S. / Yasuo, K. / Maeda, M. / Higaki, M. / Ueda, K. / Yoshizawa, H. / Baba, Y. / Shiota, T. / Murai, H. / Nakamura, Y.
External linksJ. Med. Chem. / PubMed:23634759
MethodsX-ray diffraction
Resolution2.7 Å
Structure data

PDB-3w1f:
Crystal structure of Human MPS1 catalytic domain in complex with 5-(5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl)-2-methylbenzenesulfonamide
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

Chemicals

ChemComp-1O5:
5-[5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / KINASE / SERINE/THREONINE-PROTEIN KINASE / TRANSFERASE-TRANSFERASE INHIBITOR complex

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