3SC1

Novel Isoquinolone PDK1 Inhibitors Discovered through Fragment-Based Lead Discovery

Summary for 3SC1

Entry DOI	10.2210/pdb3sc1/pdb
Related	3RWP 3RWQ
Descriptor	3-phosphoinositide-dependent protein kinase 1, 6-[2-(hydroxymethyl)phenyl]isoquinolin-1(2H)-one, SULFATE ION, ... (5 entities in total)
Functional Keywords	kinase domain, phosphoserine, sep, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm: O15530
Total number of polymer chains	1
Total formula weight	36375.46
Authors	Greasley, S.E.,Ferre, R.-A.,Krauss, M.,Cronin, C. (deposition date: 2011-06-06, release date: 2011-10-26, Last modification date: 2017-11-08)
Primary citation	Johnson, M.C.,Hu, Q.,Lingardo, L.,Ferre, R.A.,Greasley, S.,Yan, J.,Kath, J.,Chen, P.,Ermolieff, J.,Alton, G. Novel isoquinolone PDK1 inhibitors discovered through fragment-based lead discovery. J Comput Aided Mol Des, 25:689-698, 2011 Cited by PubMed: 21779981 DOI: 10.1007/s10822-011-9456-7 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.7 Å)

Structure validation