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TargetCathepsin S
LigandBDBM19606
Substrate/CompetitorBDBM19546
Meas. Tech.Enzyme Inhibition Assay
pH5.5±n/a
Temperature310.15±n/a K
Ki 7±n/a nM
Citation Alper, PBLiu, HChatterjee, AKNguyen, KTTully, DCTumanut, CLi, JHarris, JLTuntland, TChang, JGordon, PHollenbeck, TKaranewsky, 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
More Info.:Get all data from this article,  Inhibition_Run data,   Solution Info,  Assay Method
 
Cathepsin S
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM19606
BDBM19546
NameBDBM19606
Synonyms:(2S)-4-cyclohexyl-N-[(2S)-1-(5-fluoro-2,3-dihydro-1H-indol-1-yl)-4-(morpholin-4-yl)butan-2-yl]-2-[(3-methoxyphenyl)formamido]butanamide | arylaminoethyl amide, 8n
TypeSmall organic molecule
Emp. Form.C34H47FN4O4
Mol. Mass.594.7598
SMILESCOc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@@H](CCN1CCOCC1)CN1CCc2cc(F)ccc12 |r|
Structure
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