6PYU

Human PI3Kdelta in complex with Compound 4-2 ((3S)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one)

Summary for 6PYU

Entry DOI	10.2210/pdb6pyu/pdb
Descriptor	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, Phosphatidylinositol 3-kinase regulatory subunit alpha, (3S)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one, ... (4 entities in total)
Functional Keywords	pi3kdelta kinase, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (Human) More
Total number of polymer chains	2
Total formula weight	137864.62
Authors	Lesburg, C.A.,Augustin, M.A. (deposition date: 2019-07-30, release date: 2019-08-28, Last modification date: 2024-03-13)
Primary citation	Fradera, X.,Methot, J.L.,Achab, A.,Christopher, M.,Altman, M.D.,Zhou, H.,McGowan, M.A.,Kattar, S.D.,Wilson, K.,Garcia, Y.,Augustin, M.A.,Lesburg, C.A.,Shah, S.,Goldenblatt, P.,Katz, J.D. Design of selective PI3K delta inhibitors using an iterative scaffold-hopping workflow. Bioorg.Med.Chem.Lett., 29:2575-2580, 2019 Cited by PubMed: 31416665 DOI: 10.1016/j.bmcl.2019.08.004 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.54 Å)

Structure validation