| Reaction Details |
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 | Report a problem with these data |
| Target | Cathepsin S |
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| Ligand | BDBM419133 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2213567 (CHEMBL5126699) |
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| IC50 | 23±n/a nM |
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| Citation |  Bai, B; Arutyunova, E; Khan, MB; Lu, J; Joyce, MA; Saffran, HA; Shields, JA; Kandadai, AS; Belovodskiy, A; Hena, M; Vuong, W; Lamer, T; Young, HS; Vederas, JC; Tyrrell, DL; Lemieux, MJ; Nieman, JA Peptidomimetic nitrile warheads as SARS-CoV-2 3CL protease inhibitors. RSC Med Chem12:1722-1730 (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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| BDBM419133 |
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| n/a |
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| Name | BDBM419133 |
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| Synonyms: | BDBM429386 | GC376 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H30N3O8S |
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| Mol. Mass. | 484.544 |
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| SMILES | CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S([O-])(=O)=O |
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| Structure | 
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