Reaction Details |
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Target | Cathepsin S |
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Ligand | BDBM19545 |
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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 | 68±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 |
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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BDBM19545 |
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BDBM19546 |
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Name | BDBM19545 |
Synonyms: | (2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-4-methyl-2-[(3-methylphenyl)formamido]pentanamide | CHEMBL64765 | arylaminoethyl amide, 1 |
Type | Small organic molecule |
Emp. Form. | C23H31N3O3 |
Mol. Mass. | 397.5105 |
SMILES | COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1 |r| |
Structure |
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