5TOB

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

Summary for 5TOB

Entry DOI	10.2210/pdb5tob/pdb
Descriptor	Protein-tyrosine kinase 2-beta, N-methyl-N-{3-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-2-yl}methanesulfonamide (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	33087.24
Authors	Newby, Z.E. (deposition date: 2016-10-17, release date: 2017-11-29, 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 (2.117 Å)

Structure validation