Reaction Details |
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Target | Cathepsin S |
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Ligand | BDBM19700 |
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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 | 11±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 |
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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BDBM19700 |
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BDBM19546 |
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Name | BDBM19700 |
Synonyms: | (2S)-3-cyclohexyl-N-(2-{[4-(trifluoromethoxy)phenyl]amino}ethyl)-2-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}formamido)propanamide | arylaminoethyl amide deriv. 14 |
Type | Small organic molecule |
Emp. Form. | C30H31F6N3O4 |
Mol. Mass. | 611.5753 |
SMILES | FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(o2)-c2cccc(c2)C(F)(F)F)cc1 |r| |
Structure |
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