4HYH

X-RAY Crystal structure of compound 39 bound to human chk1 kinase domain

Summary for 4HYH

Entry DOI	10.2210/pdb4hyh/pdb
Related	4HYI
Descriptor	Serine/threonine-protein kinase Chk1, 2-(6-methoxy-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-[4-(piperazin-1-yl)pyridin-3-yl]-1,3-thiazole-4-carboxamide (3 entities in total)
Functional Keywords	serine/threonine-protein kinase chk1 inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (human)
Cellular location	Nucleus: O14757
Total number of polymer chains	1
Total formula weight	33493.50
Authors	Fischmann, T.O. (deposition date: 2012-11-13, release date: 2013-03-06, Last modification date: 2024-02-28)
Primary citation	Huang, X.,Cheng, C.C.,Fischmann, T.O.,Duca, J.S.,Richards, M.,Tadikonda, P.K.,Reddy, P.A.,Zhao, L.,Arshad Siddiqui, M.,Parry, D.,Davis, N.,Seghezzi, W.,Wiswell, D.,Shipps, G.W. Structure-based design and optimization of 2-aminothiazole-4-carboxamide as a new class of CHK1 inhibitors. Bioorg.Med.Chem.Lett., 23:2590-2594, 2013 Cited by PubMed: 23535330 DOI: 10.1016/j.bmcl.2013.02.108 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.7 Å)

Structure validation