Reaction Details |
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Target | Cathepsin S |
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Ligand | BDBM19775 |
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Substrate/Competitor | BDBM19485 |
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Meas. Tech. | Enzyme Inhibition Assay |
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Ki | 5.8±n/a nM |
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Citation | Yamashita, DS; Marquis, RW; Xie, R; Nidamarthy, SD; Oh, HJ; Jeong, JU; Erhard, KF; Ward, KW; Roethke, TJ; Smith, BR; Cheng, HY; Geng, X; Lin, F; Offen, PH; Wang, B; Nevins, N; Head, MS; Haltiwanger, RC; Narducci Sarjeant, AA; Liable-Sands, LM; Zhao, B; Smith, WW; Janson, CA; Gao, E; Tomaszek, T; McQueney, M; James, IE; Gress, CJ; Zembryki, DL; Lark, MW; Veber, DF Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors. J Med Chem49:1597-612 (2006) [PubMed] Article |
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More Info.: | Get all data from this article, 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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BDBM19775 |
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BDBM19485 |
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Name | BDBM19775 |
Synonyms: | (2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4S,6S)-6-methyl-3-oxo-1-(pyridine-2-sulfonyl)azepan-4-yl]pentanamide | Azepan-3-one compound 7 |
Type | Small organic molecule |
Emp. Form. | C27H32N4O6S |
Mol. Mass. | 540.631 |
SMILES | CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1C[C@H](C)CN(CC1=O)S(=O)(=O)c1ccccn1 |r| |
Structure |
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