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)

• 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 (2.24 Å)