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TargetCathepsin S
LigandBDBM50299202
Substrate/Competitorn/a
Meas. Tech.ChEMBL_592355
IC50 120±n/a nM
Citation Ameriks, MKCai, HEdwards, JPGebauer, DGleason, EGu, YKarlsson, LNguyen, SSun, SThurmond, RLZhu, J Pyrazole-based arylalkyne cathepsin S inhibitors. Part II: optimization of cellular potency. Bioorg Med Chem Lett19:6135-9 (2009) [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:
BDBM50299202
NameBDBM50299202
Synonyms:(S)-methyl 2-(4-((2-chloro-5-(5-(methylsulfonyl)-1-(3-morpholinopropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)phenyl)ethynyl)benzylamino)-2-phenylacetate | CHEMBL573658
TypeSmall organic molecule
Emp. Form.C38H42ClN5O5S
Mol. Mass.716.289
SMILESCOC(=O)[C@@H](NCc1ccc(cc1)C#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)S(C)(=O)=O)c1ccccc1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a