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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Tyrosine-protein phosphatase non-receptor type 11 | ||
| Ligand | BDBM608517 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | SHP2 Biochemical Assay | ||
| IC50 | 17.0±n/a nM | ||
| Citation |  Jorand-Lebrun, C; Boivin, R; Mochalkin, I; Johnson, T; Linde, N; Musch, D; Kumar, D Carboxamide-pyrimidine derivatives as SHP2 antagonists US Patent US11696916 Publication Date 7/11/2023 | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Tyrosine-protein phosphatase non-receptor type 11 | |||
| Name: | Tyrosine-protein phosphatase non-receptor type 11 | ||
| Synonyms: | 3.1.3.48 | PTN11_HUMAN | PTP-1D | PTP-2C | PTP2C | PTPN11 | Protein Tyrosine Phosphatase PPN11/Shp2 | Protein tyrosine phosphatase (PTP) Shp2 | Protein-Tyrosine Phosphatase SHP-2 | Protein-tyrosine phosphatase 1D | Protein-tyrosine phosphatase 2C | SH-PTP2 | SH-PTP3 | SHP-2 | SHP2 | SHPTP2 | Src homology phosphatase 2 (SHP-2) | Tyrosine-protein phosphatase non-receptor type 11 (PTPN11) | Tyrosine-protein phosphatase non-receptor type 11 (SHP-2) | Tyrosine-protein phosphatase non-receptor type 11 (SHP2) | ||
| Type: | Protein phosphatase | ||
| Mol. Mass.: | 68443.59 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | Q06124 | ||
| Residue: | 593 | ||
| Sequence: |
| ||
| BDBM608517 | |||
| n/a | |||
| Name | BDBM608517 | ||
| Synonyms: | 2-[(3R)-3-amino-3H-spiro[1- benzofuran-2,4'-piperidin]-1'-yl]-5-(2,3- dichlorophenyl)-6-methylpyrimidine-4- carboxamide | US11696916, Compound 122 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H23Cl2N5O2 | ||
| Mol. Mass. | 484.378 | ||
| SMILES | Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCC2(CC1)Oc1ccccc1[C@H]2N |r,wD:31.36,(-2.37,3.52,;-2.37,1.98,;-1.04,1.21,;-1.04,-.33,;-2.37,-1.1,;-3.71,-.33,;-5.04,-1.1,;-6.37,-.33,;-5.04,-2.64,;-3.71,1.21,;-5.04,1.98,;-6.37,1.21,;-7.71,1.98,;-7.71,3.52,;-6.37,4.29,;-6.37,5.83,;-5.04,3.52,;-3.71,4.29,;.29,-1.1,;.29,-2.64,;1.63,-3.41,;2.96,-2.64,;2.96,-1.1,;1.63,-.33,;3.12,-4.17,;4.63,-4.49,;5.4,-5.83,;6.94,-5.83,;7.71,-4.49,;6.94,-3.16,;5.4,-3.16,;4.37,-2.02,;5.14,-.68,)| | ||
| Structure | 
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