| Reaction Details |
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 | Report a problem with these data |
| Target | Cathepsin S |
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| Ligand | BDBM19587 |
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| Substrate/Competitor | BDBM19546 |
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| Meas. Tech. | Enzyme Inhibition Assay |
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| pH | 5.5±n/a |
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| Temperature | 310.15±n/a K |
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| Ki | 104±n/a nM |
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| Citation |  Alper, PB; Liu, H; Chatterjee, AK; Nguyen, KT; Tully, DC; Tumanut, C; Li, J; Harris, JL; Tuntland, T; Chang, J; Gordon, P; Hollenbeck, T; Karanewsky, DS Arylaminoethyl amides as noncovalent inhibitors of cathepsin S. Part 2: Optimization of P1 and N-aryl. Bioorg Med Chem Lett16:1486-90 (2006) [PubMed] Article |
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| More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, 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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| BDBM19587 |
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| BDBM19546 |
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| Name | BDBM19587 |
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| Synonyms: | (2S)-4-methyl-2-[(3-methylphenyl)formamido]-N-(2-{[4-(trifluoromethoxy)phenyl]amino}ethyl)pentanamide | arylaminoethyl amide, 3c |
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| Type | Small organic molecule |
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| Emp. Form. | C23H28F3N3O3 |
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| Mol. Mass. | 451.4819 |
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| SMILES | CC(C)C[C@H](NC(=O)c1cccc(C)c1)C(=O)NCCNc1ccc(OC(F)(F)F)cc1 |r| |
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| Structure | 
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