5TO8

Selectivity switch between FAK and Pyk2: Macrocyclization of FAK inhibitors improves Pyk2 potency

Summary for 5TO8

Entry DOI	10.2210/pdb5to8/pdb
Descriptor	Protein-tyrosine kinase 2-beta, 25-(methylsulfonyl)-8-(trifluoromethyl)-5,17,18,21,22,23,24,25-octahydro-12H-7,11-(azeno)-16,13-(metheno)pyrido[3,2-i]pyrrolo[1,2-q][1,3,7,11,17]pentaazacyclohenicosin-20(6H)-one (3 entities in total)
Functional Keywords	kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (Human)
Cellular location	Cytoplasm: Q14289
Total number of polymer chains	1
Total formula weight	33141.33
Authors	Newby, Z.E. (deposition date: 2016-10-17, release date: 2016-12-21, Last modification date: 2024-03-06)
Primary citation	Farand, J.,Mai, N.,Chandrasekhar, J.,Newby, Z.E.,Van Veldhuizen, J.,Loyer-Drew, J.,Venkataramani, C.,Guerrero, J.,Kwok, A.,Li, N.,Zherebina, Y.,Wilbert, S.,Zablocki, J.,Phillips, G.,Watkins, W.J.,Mourey, R.,Notte, G.T. Selectivity switch between FAK and Pyk2: Macrocyclization of FAK inhibitors improves Pyk2 potency. Bioorg. Med. Chem. Lett., 26:5926-5930, 2016 Cited by PubMed: 27876318 DOI: 10.1016/j.bmcl.2016.10.092 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.9849 Å)

Structure validation