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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Replicase polyprotein 1ab | ||
| Ligand | BDBM581870 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Rapid-Fire MS Biochemical Assay measuring Mpro activity (12.5nM Mpro) | ||
| IC50 | 16±n/a nM | ||
| Citation |  James, HM; Viktor, H; Sajan, J; Ernst, MH; Julien, P; Tajesh, P; Richard, R; Charles, TD; Jun, Y COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES WIPOWO2022224223 Publication Date 10/27/2022 | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Replicase polyprotein 1ab | |||
| Name: | Replicase polyprotein 1ab | ||
| Synonyms: | ORF1ab polyprotein | R1AB_SARS2 | pp1ab | rep | ||
| Type: | Protein | ||
| Mol. Mass.: | 794070.71 | ||
| Organism: | 2019-nCoV | ||
| Description: | P0DTD1 | ||
| Residue: | 7096 | ||
| Sequence: |
| ||
| BDBM581870 | |||
| n/a | |||
| Name | BDBM581870 | ||
| Synonyms: | WO2022224223, Example 3 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C20H11F3N4O2 | ||
| Mol. Mass. | 396.3221 | ||
| SMILES | FC(F)(F)c1ccc2n(CC#N)c(=O)n(-c3cncc4ccccc34)c(=O)c2c1 |(-7.63,-.02,;-6.29,-.79,;-6.29,-2.33,;-4.96,-1.56,;-4.96,-.02,;-4.96,1.52,;-3.63,2.29,;-2.29,1.52,;-.96,2.29,;-.96,3.83,;-2.29,4.6,;-3.62,5.37,;.38,1.52,;1.71,2.29,;.38,-.02,;1.71,-.79,;1.71,-2.33,;3.04,-3.1,;4.38,-2.33,;4.38,-.79,;5.71,-.02,;5.71,1.52,;4.38,2.29,;3.04,1.52,;3.04,-.02,;-.96,-.79,;-.96,-2.33,;-2.29,-.02,;-3.63,-.79,)| | ||
| Structure | 
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