7MGK

TNNI3K complexed with 1-(3,5-dichloro-4-((6-(methylamino)pyrimidin-4-yl)oxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea

Summary for 7MGK

Entry DOI	10.2210/pdb7mgk/pdb
Descriptor	Serine/threonine-protein kinase TNNI3K, N-(3,5-dichloro-4-{[6-(methylamino)pyrimidin-4-yl]oxy}phenyl)-N'-[3-(trifluoromethyl)phenyl]urea (3 entities in total)
Functional Keywords	cark, kinase, transferase, transferase-inhibitor complex, transferase/inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	4
Total formula weight	141442.44
Authors	Shewchuk, L.M. (deposition date: 2021-04-12, release date: 2021-11-10, Last modification date: 2024-04-03)
Primary citation	Patterson, J.R.,Graves, A.P.,Stoy, P.,Cheung, M.,Desai, T.A.,Fries, H.,Gatto Jr., G.J.,Holt, D.A.,Shewchuk, L.,Totoritis, R.,Wang, L.,Kallander, L.S. Identification of Diarylurea Inhibitors of the Cardiac-Specific Kinase TNNI3K by Designing Selectivity Against VEGFR2, p38 alpha , and B-Raf. J.Med.Chem., 64:15651-15670, 2021 Cited by PubMed: 34699203 DOI: 10.1021/acs.jmedchem.1c00700 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (3.1 Å)

Structure validation