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: 21779981DOI: 10.1007/s10822-011-9456-7 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.7 Å) |
Structure validation
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