Reaction Details | |||
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Report a problem with these data | |||
Target | Orf1a protein | ||
Ligand | BDBM419127 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | FRET enzyme assay | ||
IC50 | 150±20 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 | ||
Orf1a protein | |||
Name: | Orf1a protein | ||
Synonyms: | 3C-like proteinase | Growth factor-like peptide | Leader protein | Non-structural protein 10 | 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 | Papain-like proteinase | nsp5 | p65 homolog | ||
Type: | Protein | ||
Mol. Mass.: | 486041.74 | ||
Organism: | MERS-CoV | ||
Description: | A0A1L2E0X0 | ||
Residue: | 4391 | ||
Sequence: |
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BDBM419127 | |||
n/a | |||
Name | BDBM419127 | ||
Synonyms: | 3CLpro inhibitor 6e | ||
Type | Small organic molecule | ||
Emp. Form. | C24H42N3O8S | ||
Mol. Mass. | 532.671 | ||
SMILES | CCCCC1CCC(CC1)OC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC1CCNC1=O)C(O)S([O-])(=O)=O |wD:22.22,14.14,(-10.67,7.43,;-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 |