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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Replicase polyprotein 1ab | ||
| Ligand | BDBM419126 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | FRET enzyme assay | ||
| IC50 | 230±50 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 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: |
| ||
| BDBM419126 | |||
| n/a | |||
| Name | BDBM419126 | ||
| Synonyms: | 3CLpro inhibitor 7c | ||
| Type | Small organic molecule | ||
| Emp. Form. | C23H39N3O5 | ||
| Mol. Mass. | 437.5729 | ||
| SMILES | CCCC1CCC(CC1)OC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC1CCNC1=O)C=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,)| | ||
| Structure | 
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