Reaction Details | |||
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Report a problem with these data | |||
Target | Replicase polyprotein 1ab | ||
Ligand | BDBM581873 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Rapid-Fire MS Biochemical Assay measuring Mpro activity (12.5nM Mpro) | ||
IC50 | 230±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: |
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BDBM581873 | |||
n/a | |||
Name | BDBM581873 | ||
Synonyms: | WO2022224223, Example 6 | ||
Type | Small organic molecule | ||
Emp. Form. | C18H11F3N4O2 | ||
Mol. Mass. | 372.3007 | ||
SMILES | Nc1cccc2c(cncc12)-n1c(=O)[nH]c2ccc(cc2c1=O)C(F)(F)F |(7.04,-.79,;5.71,-.02,;5.71,1.52,;4.38,2.29,;3.04,1.52,;3.04,-.02,;1.71,-.79,;1.71,-2.33,;3.04,-3.1,;4.38,-2.33,;4.38,-.79,;.38,-.02,;.38,1.52,;1.71,2.29,;-.96,2.29,;-2.29,1.52,;-3.63,2.29,;-4.96,1.52,;-4.96,-.02,;-3.63,-.79,;-2.29,-.02,;-.96,-.79,;-.96,-2.33,;-6.29,-.79,;-7.63,-.02,;-6.29,-2.33,;-4.96,-1.56,)| | ||
Structure |