Reaction Details |
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Target | Cathepsin S |
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Ligand | BDBM50602542 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2241118 (CHEMBL5155328) |
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IC50 | 0.304±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 |
Synonyms: | CATS_HUMAN | CTSS | Cathepsin S (Cat S) | cathepsin S preproprotein |
Type: | Protein |
Mol. Mass.: | 37507.38 |
Organism: | Homo sapiens (Human) |
Description: | P25774 |
Residue: | 331 |
Sequence: | MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVM
LHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVD
WREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGC
NGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKE
AVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSW
GHNFGEEGYIRMARNKGNHCGIASFPSYPEI
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BDBM50602542 |
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n/a |
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Name | BDBM50602542 |
Synonyms: | CHEMBL4594870 |
Type | Small organic molecule |
Emp. Form. | C41H58N6O6 |
Mol. Mass. | 730.9358 |
SMILES | COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCN(C)CC1 |r,t:2| |
Structure |
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