3ML8

Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure Based Drug Design

Summary for 3ML8

Entry DOI	10.2210/pdb3ml8/pdb
Related	3ML9
Descriptor	Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one (2 entities in total)
Functional Keywords	phosphoinositide kinase, inhibition, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm : P48736
Total number of polymer chains	1
Total formula weight	111120.61
Authors	Knighton, D.R. (deposition date: 2010-04-16, release date: 2010-06-02, Last modification date: 2024-02-21)
Primary citation	Cheng, H.,Li, C.,Bailey, S.,Baxi, S.M.,Goulet, L.,Guo, L.,Hoffman, J.,Jiang, Y.,Johnson, T.O.,Johnson, T.W.,Knighton, D.R.,Li, J.,Liu, K.K.,Liu, Z.,Marx, M.A.,Walls, M.,Wells, P.A.,Yin, M.J.,Zhu, J.,Zientek, M. Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design. ACS Med Chem Lett, 4:91-97, 2013 Cited by PubMed: 24900568 DOI: 10.1021/ml300309h PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.7 Å)

Structure validation