| Reaction Details |
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 | Report a problem with these data |
| Target | Cathepsin S |
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| Ligand | BDBM476965 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | SARS-CoV-2 Protease FRET Assay |
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| IC50 | 444±29 nM |
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| Citation |  Bai, B; Belovodskiy, A; Hena, M; Kandadai, AS; Joyce, MA; Saffran, HA; Shields, JA; Khan, MB; Arutyunova, E; Lu, J; Bajwa, SK; Hockman, D; Fischer, C; Lamer, T; Vuong, W; van Belkum, MJ; Gu, Z; Lin, F; Du, Y; Xu, J; Rahim, M; Young, HS; Vederas, JC; Tyrrell, DL; Lemieux, MJ; Nieman, JA Peptidomimetic ?-Acyloxymethylketone Warheads with Six-Membered Lactam P1 Glutamine Mimic: SARS-CoV-2 3CL Protease Inhibition, Coronavirus Antiviral Activity, and J Med Chem0:0 (2021) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cathepsin S |
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| Name: | Cathepsin S |
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| Synonyms: | CATS_HUMAN | CTSS | Cathepsin S (Cat S) | cathepsin S preproprotein |
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| Type: | Protein |
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| Mol. Mass.: | 37507.38 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P25774 |
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| Residue: | 331 |
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| Sequence: | MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVM
LHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVD
WREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGC
NGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKE
AVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSW
GHNFGEEGYIRMARNKGNHCGIASFPSYPEI
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| BDBM476965 |
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| n/a |
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| Name | BDBM476965 |
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| Synonyms: | SARS-CoV-2 3CLP and CoV inhibitor 15e |
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| Type | Small organic molecule |
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| Emp. Form. | C33H43F3N4O7 |
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| Mol. Mass. | 664.7123 |
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| SMILES | COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)COC(=O)C1(CCCCC1)C(F)(F)F |
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| Structure | 
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