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TitleDiscovery of imidazo[1,2-b]pyridazine derivatives: selective and orally available Mps1 (TTK) kinase inhibitors exhibiting remarkable antiproliferative activity.
Journal, issue, pagesJ. Med. Chem., Vol. 58, Page 1760-1775, Year 2015
Publish dateSep 29, 2014 (structure data deposition date)
AuthorsKusakabe, K. / Ide, N. / Daigo, Y. / Itoh, T. / Yamamoto, T. / Hashizume, H. / Nozu, K. / Yoshida, H. / Tadano, G. / Tagashira, S. ...Kusakabe, K. / Ide, N. / Daigo, Y. / Itoh, T. / Yamamoto, T. / Hashizume, H. / Nozu, K. / Yoshida, H. / Tadano, G. / Tagashira, S. / Higashino, K. / Okano, Y. / Sato, Y. / Inoue, M. / Iguchi, M. / Kanazawa, T. / Ishioka, Y. / Dohi, K. / Kido, Y. / Sakamoto, S. / Ando, S. / Maeda, M. / Higaki, M. / Baba, Y. / Nakamura, Y.
External linksJ. Med. Chem. / PubMed:25625617
MethodsX-ray diffraction
Resolution2.3 - 2.75 Å
Structure data

PDB-3wzj:
CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-(6-(cyclohexylamino)-8-(((tetrahydro-2H-pyran-4-yl)methyl)amino)imidazo[1,2-b]pyridazin-3-yl)-N-cyclopropylbenzamide
Method: X-RAY DIFFRACTION / Resolution: 2.75 Å

PDB-3wzk:
CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH N-cyclopropyl-4-(8-((thiophen-2-ylmethyl)amino)imidazo[1,2-a]pyrazin-3-yl)benzamide
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-O43:
4-{6-(cyclohexylamino)-8-[(tetrahydro-2H-pyran-4-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}-N-cyclopropylbenzamide

ChemComp-HOH:
WATER

ChemComp-CL:
Unknown entry

ChemComp-O23:
N-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / ATP Binding / Phosphorylation

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