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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Replicase polyprotein 1a | ||
| Ligand | BDBM419124 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | FRET enzyme assay | ||
| IC50 | 1700±200 nM | ||
| Citation |  Rathnayake, AD; Zheng, J; Kim, Y; Perera, KD; Mackin, S; Meyerholz, DK; Kashipathy, MM; Battaile, KP; Lovell, S; Perlman, S; Groutas, WC; Chang, KO 3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice. Sci Transl Med12:0 (2020) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Replicase polyprotein 1a | |||
| Name: | Replicase polyprotein 1a | ||
| Synonyms: | 3C-like proteinase | 3CL-PRO | 3CLp | GFL | Growth factor-like peptide | Leader protein | Non-structural protein 1 | Non-structural protein 10 | Non-structural protein 11 | Non-structural protein 2 | Non-structural protein 3 | Non-structural protein 4 | Non-structural protein 6 | Non-structural protein 7 | Non-structural protein 8 | Non-structural protein 9 | ORF1a polyprotein | PL-PRO | PL2-PRO | Papain-like protease (PLpro) | Papain-like proteinase | R1A_SARS | Replicase polyprotein 1a | Replicase polyprotein 1ab | SARS coronavirus 3C-like proteinase | SARS coronavirus main proteinase | nsp1 | nsp10 | nsp11 | nsp2 | nsp3 | nsp4 | nsp5 | nsp6 | nsp7 | nsp8 | nsp9 | p65 homolog | pp1a | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 486353.36 | ||
| Organism: | Human SARS coronavirus (SARS-CoV) | ||
| Description: | P0C6U8 | ||
| Residue: | 4382 | ||
| Sequence: |
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| BDBM419124 | |||
| n/a | |||
| Name | BDBM419124 | ||
| Synonyms: | 3CLpro inhibitor 6c | ||
| Type | Small organic molecule | ||
| Emp. Form. | C23H40N3O8S | ||
| Mol. Mass. | 518.645 | ||
| SMILES | CCCC1CCC(CC1)OC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC1CCNC1=O)C(O)S([O-])(=O)=O |wD:21.21,13.13,(-9.14,7.59,;-8.23,6.35,;-6.7,6.51,;-5.8,5.26,;-4.26,5.42,;-3.36,4.18,;-3.98,2.77,;-5.52,2.61,;-6.42,3.86,;-3.08,1.52,;-1.55,1.69,;-.92,3.09,;-.64,.44,;.89,.6,;1.52,2.01,;3.05,2.17,;3.67,3.58,;3.95,.92,;1.79,-.65,;1.17,-2.05,;3.33,-.48,;4.23,-1.73,;5.76,-1.57,;6.67,-2.82,;6.19,-4.28,;7.44,-5.19,;8.68,-4.28,;8.21,-2.82,;9.11,-1.57,;3.6,-3.14,;2.07,-3.3,;4.51,-4.38,;5.41,-5.63,;5.76,-3.48,;3.26,-5.29,)| | ||
| Structure | 
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