| Reaction Details |
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 | Report a problem with these data |
| Target | Replicase polyprotein 1ab [3264-3569] |
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| Ligand | BDBM420295 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Determination of inhibition of SARS-CoV-2 Mproby 11r, 13a,and 13b |
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| IC50 | 670±180 nM |
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| Citation |  Zhang, L; Lin, D; Sun, X; Curth, U; Drosten, C; Sauerhering, L; Becker, S; Rox, K; Hilgenfeld, R Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved ?-ketoamide inhibitors. Science368:409-412 (2020) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Replicase polyprotein 1ab [3264-3569] |
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| Name: | Replicase polyprotein 1ab [3264-3569] |
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| Synonyms: | R1AB_SARS2 | Replicase polyprotein 1ab | rep |
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| Type: | n/a |
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| Mol. Mass.: | 33795.80 |
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| Organism: | Severe acute respiratory syndrome coronavirus 2 |
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| Description: | P0DTD1[3264-3569] |
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| Residue: | 306 |
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| Sequence: | SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIR
KSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNG
SPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGN
FYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYE
PLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQC
SGVTFQ
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| BDBM420295 |
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| n/a |
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| Name | BDBM420295 |
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| Synonyms: | alpha-ketoamide inhibitor 13b | med.21724, Compound 67 |
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| Type | Small organic molecule |
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| Emp. Form. | C31H39N5O7 |
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| Mol. Mass. | 593.6707 |
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| SMILES | CC(C)(C)OC(=O)Nc1cccn([C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)C(=O)NCc2ccccc2)c1=O |
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| Structure | 
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