8CBH
SHP2 in complex with a novel allosteric inhibitor
Summary for 8CBH
Entry DOI | 10.2210/pdb8cbh/pdb |
Descriptor | Tyrosine-protein phosphatase non-receptor type 11, [(1~{S},6~{R},7~{S})-3-[3-[2,3-bis(chloranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyrazin-6-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine (3 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 | 121582.85 |
Authors | di Fabio, R.,Petrocchi, A. (deposition date: 2023-01-25, release date: 2023-04-26, Last modification date: 2024-06-19) |
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 (2.24 Å) |
Structure validation
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