5UBT

CRYSTAL STRUCTURE OF PI3K DELTA IN COMPLEX WITH A 7-(3-(PIPERAZIN-1-YL)PHENYL)PYRROLO[2,1-F][1,2,4] TRIAZIN-4-AMINE DERIVIATINE

Summary for 5UBT

• Entry DOI: 10.2210/pdb5ubt/pdb
• Related: 5ubr
• Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, Phosphatidylinositol 3-kinase regulatory subunit alpha, 1-[4-(3-{4-amino-5-[1-(oxan-4-yl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)piperazin-1-yl]ethan-1-one, ... (4 entities in total)
• Functional Keywords: lipid kinase, inhibitor, pi3k delta, transferase-transferase inhibitor complex, transferase-transferase regulator complex, transferase/transferase regulator
• Biological source: Homo sapiens (Human); More
• Cellular location: Cytoplasm : O00329
• Total number of polymer chains: 2
• Total formula weight: 137161.81

Authors

Sack, J.S. (deposition date: 2016-12-21, release date: 2017-02-08, Last modification date: 2024-03-06)

• Primary citation: Qin, L.Y.,Ruan, Z.,Cherney, R.J.,Dhar, T.G.,Neels, J.,Weigelt, C.A.,Sack, J.S.,Srivastava, A.S.,Cornelius, L.A.,Tino, J.A.,Stefanski, K.,Gu, X.,Xie, J.,Susulic, V.,Yang, X.,Yarde-Chinn, M.,Skala, S.,Bosnius, R.,Goldstein, C.,Davies, P.,Ruepp, S.,Salter-Cid, L.,Bhide, R.S.,Poss, M.A.; Discovery of 7-(3-(piperazin-1-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine derivatives as highly potent and selective PI3K delta inhibitors.; Bioorg. Med. Chem. Lett., 27:855-861, 2017; PubMed: 28108251; DOI: 10.1016/j.bmcl.2017.01.016

Experimental method

X-RAY DIFFRACTION (2.83 Å)