4PPC

ITK kinase domain with compound 27 (N-{1-[(1R)-3-(DIMETHYLAMINO)-1-PHENYLPROPYL]-1H-PYRAZOL-4-YL}-6-(1H-PYRAZOL-4-YL)-1H-INDAZOLE-3-CARBOXAMIDE)

Summary for 4PPC

• Entry DOI: 10.2210/pdb4ppc/pdb
• Related: 4PP9 4PPA 4PPB
• Descriptor: Tyrosine-protein kinase ITK/TSK, N-{1-[(1R)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide (2 entities in total)
• Functional Keywords: protein kinase, phospho-transfer, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm : Q08881
• Total number of polymer chains: 2
• Total formula weight: 61338.04

Authors

Eigenbrot, C.,Shia, S. (deposition date: 2014-02-26, release date: 2014-06-04, Last modification date: 2023-09-20)

• Primary citation: Pastor, R.M.,Burch, J.D.,Magnuson, S.,Ortwine, D.F.,Chen, Y.,De La Torre, K.,Ding, X.,Eigenbrot, C.,Johnson, A.,Liimatta, M.,Liu, Y.,Shia, S.,Wang, X.,Wu, L.C.,Pei, Z.; Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors.; Bioorg.Med.Chem.Lett., 24:2448-2452, 2014; PubMed: 24767842; DOI: 10.1016/j.bmcl.2014.04.023

Experimental method

X-RAY DIFFRACTION (2.95 Å)