Reaction Details |
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Target | Cathepsin S |
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Ligand | BDBM50560486 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2072255 (CHEMBL4727789) |
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Ki | 179±n/a nM |
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Citation | Lemke, C; Cianni, L; Feldmann, C; Gilberg, E; Yin, J; Dos Reis Rocho, F; de Vita, D; Bartz, U; Bajorath, J; Montanari, CA; Gütschow, M N-Sulfonyl dipeptide nitriles as inhibitors of human cathepsin S: In silico design, synthesis and biochemical characterization. Bioorg Med Chem Lett30:0 (2020) [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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BDBM50560486 |
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n/a |
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Name | BDBM50560486 |
Synonyms: | CHEMBL4740136 |
Type | Small organic molecule |
Emp. Form. | C25H23N3O3S |
Mol. Mass. | 445.533 |
SMILES | O=C(NC1(CC1)C#N)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc(c1)-c1ccccc1 |r| |
Structure |
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