6C1S

Phosphoinositide 3-Kinase gamma bound to an pyrrolopyridinone Inhibitor

Summary for 6C1S

• Entry DOI: 10.2210/pdb6c1s/pdb
• Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, {4-[2-(5,6-dimethoxypyridin-3-yl)-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-1H-pyrazol-1-yl}acetonitrile, SULFATE ION, ... (4 entities in total)
• Functional Keywords: kinase, inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 112029.38

Authors

Jacobs, M.D.,Griffin, J.P. (deposition date: 2018-01-05, release date: 2018-06-27, Last modification date: 2023-10-04)

• Primary citation: Come, J.H.,Collier, P.N.,Henderson, J.A.,Pierce, A.C.,Davies, R.J.,Le Tiran, A.,O'Dowd, H.,Bandarage, U.K.,Cao, J.,Deininger, D.,Grey, R.,Krueger, E.B.,Lowe, D.B.,Liang, J.,Liao, Y.,Messersmith, D.,Nanthakumar, S.,Sizensky, E.,Wang, J.,Xu, J.,Chin, E.Y.,Damagnez, V.,Doran, J.D.,Dworakowski, W.,Griffith, J.P.,Jacobs, M.D.,Khare-Pandit, S.,Mahajan, S.,Moody, C.S.,Aronov, A.M.; Design and Synthesis of a Novel Series of Orally Bioavailable, CNS-Penetrant, Isoform Selective Phosphoinositide 3-Kinase gamma (PI3K gamma ) Inhibitors with Potential for the Treatment of Multiple Sclerosis (MS).; J. Med. Chem., 61:5245-5256, 2018; PubMed: 29847724; DOI: 10.1021/acs.jmedchem.8b00085

Experimental method

X-RAY DIFFRACTION (2.31 Å)