8B5Y

SHP2 in complex with allosteric imidazopyrazine inhibitor

Summary for 8B5Y

• Entry DOI: 10.2210/pdb8b5y/pdb
• Descriptor: Tyrosine-protein phosphatase non-receptor type 11, (1~{S})-1'-[5-[2-(trifluoromethyl)pyridin-3-yl]sulfanyl-3~{H}-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine, FORMIC ACID, ... (4 entities in total)
• Functional Keywords: shp2, allosteric inhibitors, imidazopyrazine, oncology, signaling protein
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 122617.64

Authors

Torrente, E.,Petrocchi, A. (deposition date: 2022-09-25, release date: 2023-01-18, Last modification date: 2024-02-07)

• Primary citation: Torrente, E.,Fodale, V.,Ciammaichella, A.,Ferrigno, F.,Ontoria, J.M.,Ponzi, S.,Rossetti, I.,Sferrazza, A.,Amaudrut, J.,Missineo, A.,Esposito, S.,Palombo, S.,Nibbio, M.,Cerretani, M.,Bisbocci, M.,Cellucci, A.,di Marco, A.,Alli, C.,Pucci, V.,Toniatti, C.,Petrocchi, A.; Discovery of a Novel Series of Imidazopyrazine Derivatives as Potent SHP2 Allosteric Inhibitors.; Acs Med.Chem.Lett., 14:156-162, 2023; PubMed: 36793438; DOI: 10.1021/acsmedchemlett.2c00454

Experimental method

X-RAY DIFFRACTION (1.83 Å)