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TargetCathepsin S
LigandBDBM50121558
Substrate/Competitorn/a
Meas. Tech.ChEMBL_48672
IC50 12±n/a nM
Citation Ward, YDThomson, DSFrye, LLCywin, CLMorwick, TEmmanuel, MJZindell, RMcNeil, DBekkali, YGirardot, MHrapchak, MDeTuri, MCrane, KWhite, DPav, SWang, YHao, MHGrygon, CALabadia, MEFreeman, DMDavidson, WHopkins, JLBrown, MLSpero, DMGiradot, M Design and synthesis of dipeptide nitriles as reversible and potent Cathepsin S inhibitors. J Med Chem45:5471-82 (2002) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cathepsin S
Name:Cathepsin S
Synonyms: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:
BDBM50121558
NameBDBM50121558
Synonyms:CHEMBL152940 | Morpholine-4-carboxylic acid (1-{[cyano-(2-methyl-benzyloxymethyl)-methyl]-carbamoyl}-3,3-dimethyl-butyl)-amide
TypeSmall organic molecule
Emp. Form.C23H34N4O4
Mol. Mass.430.5405
SMILESCc1ccccc1COC[C@H](NC(=O)[C@H](CC(C)(C)C)NC(=O)N1CCOCC1)C#N
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a