| Reaction Details |
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 | Report a problem with these data |
| Target | Cathepsin S |
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| Ligand | BDBM19716 |
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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 | 5±n/a nM |
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| Citation |  Tully, DC; Liu, H; Chatterjee, AK; Alper, PB; Epple, R; Williams, JA; Roberts, MJ; Woodmansee, DH; Masick, BT; Tumanut, C; Li, J; Spraggon, G; Hornsby, M; Chang, J; Tuntland, T; Hollenbeck, T; Gordon, P; Harris, JL; Karanewsky, DS Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers. Bioorg Med Chem Lett16:5112-7 (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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| BDBM19716 |
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| BDBM19546 |
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| Name | BDBM19716 |
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| Synonyms: | (2S)-3-cyclohexyl-N-[(2S)-4-methanesulfonyl-1-{[4-(trifluoromethoxy)phenyl]amino}butan-2-yl]-2-(morpholin-4-ylcarbonylamino)propanamide | arylaminoethyl amide deriv. 30 |
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| Type | Small organic molecule |
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| Emp. Form. | C26H39F3N4O6S |
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| Mol. Mass. | 592.671 |
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| SMILES | CS(=O)(=O)CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 |r| |
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| Structure | 
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