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 Cited by PubMed: 36793438DOI: 10.1021/acsmedchemlett.2c00454 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.83 Å) |
Structure validation
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