5DLS

Identification of Novel, in vivo Active Chk1 Inhibitors Utilizing Structure Guided Drug Design

Summary for 5DLS

Entry DOI	10.2210/pdb5dls/pdb
Descriptor	Serine/threonine-protein kinase Chk1, 1-benzyl-N-(5-{5-[3-(dimethylamino)-2,2-dimethylpropoxy]-1H-indol-2-yl}-6-oxo-1,6-dihydropyridin-3-yl)-1H-pyrazole-4-carboxamide, SULFATE ION, ... (4 entities in total)
Functional Keywords	chk1, v158411, fragment, kinase, transferase
Biological source	Homo sapiens (Human)
Cellular location	Nucleus: O14757
Total number of polymer chains	1
Total formula weight	34782.85
Authors	Massey, A.J.,Stokes, S.,Browne, H.,Foloppe, N.,Fiumana, A.,Scrace, S.,Fallowfield, M.,Bedford, S.,Webb, P.,Baker, L.M.,Christie, M.,Drysdale, M.J.,Wood, M. (deposition date: 2015-09-07, release date: 2015-10-14, Last modification date: 2024-01-10)
Primary citation	Massey, A.J.,Stokes, S.,Browne, H.,Foloppe, N.,Fiumana, A.,Scrace, S.,Fallowfield, M.,Bedford, S.,Webb, P.,Baker, L.,Christie, M.,Drysdale, M.J.,Wood, M. Identification of novel, in vivo active Chk1 inhibitors utilizing structure guided drug design. Oncotarget, 6:35797-35812, 2015 Cited by PubMed: 26437226 DOI: 10.18632/oncotarget.5929 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.15 Å)

Structure validation