7R7D
Structure of human SHP2 in complex with compound 22
Summary for 7R7D
Entry DOI | 10.2210/pdb7r7d/pdb |
Related | 6WU8 |
Descriptor | Tyrosine-protein phosphatase non-receptor type 11, 4-[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloro-N-methylpyridin-2-amine, TETRAETHYLENE GLYCOL, ... (4 entities in total) |
Functional Keywords | phosphatase, inhibitor, shp2, allosteric, hydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 2 |
Total formula weight | 123922.73 |
Authors | Leonard, P.G.,Cross, J. (deposition date: 2021-06-24, release date: 2021-10-27, Last modification date: 2023-10-18) |
Primary citation | Czako, B.,Sun, Y.,McAfoos, T.,Cross, J.B.,Leonard, P.G.,Burke, J.P.,Carroll, C.L.,Feng, N.,Harris, A.L.,Jiang, Y.,Kang, Z.,Kovacs, J.J.,Mandal, P.,Meyers, B.A.,Mseeh, F.,Parker, C.A.,Yu, S.S.,Williams, C.C.,Wu, Q.,Di Francesco, M.E.,Draetta, G.,Heffernan, T.,Marszalek, J.R.,Kohl, N.E.,Jones, P. Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor. J.Med.Chem., 64:15141-15169, 2021 Cited by PubMed: 34643390DOI: 10.1021/acs.jmedchem.1c01132 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.6 Å) |
Structure validation
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