| Reaction Details |
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 | Report a problem with these data |
| Target | Cathepsin S |
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| Ligand | BDBM50602543 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2241118 (CHEMBL5155328) |
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| IC50 | 60.3±n/a nM |
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| Citation |  Ashhurst, AS; Tang, AH; Fajtová, P; Yoon, MC; Aggarwal, A; Bedding, MJ; Stoye, A; Beretta, L; Pwee, D; Drelich, A; Skinner, D; Li, L; Meek, TD; McKerrow, JH; Hook, V; Tseng, CT; Larance, M; Turville, S; Gerwick, WH; O'Donoghue, AJ; Payne, RJ Potent Anti-SARS-CoV-2 Activity by the Natural Product Gallinamide A and Analogues via Inhibition of Cathepsin L. J Med Chem65:2956-2970 (2022) [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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| BDBM50602543 |
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| n/a |
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| Name | BDBM50602543 |
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| Synonyms: | CHEMBL4598338 |
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| Type | Small organic molecule |
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| Emp. Form. | C45H60N6O6 |
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| Mol. Mass. | 780.9945 |
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| SMILES | COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](C(C)C)N(C)C |r,t:2| |
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| Structure | 
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