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TargetCathepsin S
LigandBDBM50208836
Substrate/Competitorn/a
Meas. Tech.ChEMBL_443352
Kd 5.4±n/a nM
Citation Bekkali, YThomson, DSBetageri, REmmanuel, MJHao, MHHickey, ELiu, WPatel, UWard, YDYoung, ERNelson, RKukulka, ABrown, MLCrane, KWhite, DFreeman, DMLabadia, MEWildeson, JSpero, DM Identification of a novel class of succinyl-nitrile-based Cathepsin S inhibitors. Bioorg Med Chem Lett17:2465-9 (2007) [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:
BDBM50208836
NameBDBM50208836
Synonyms:(R)-N-((R)-3-cyano-1-cyclohexylpyrrolidin-3-yl)-4-morpholino-4-oxo-2-((1,2,3,4-tetrahydronaphthalen-2-yl)methyl)butanamide | CHEMBL234912
TypeSmall organic molecule
Emp. Form.C30H42N4O3
Mol. Mass.506.6795
SMILESO=C(C[C@@H](CC1CCc2ccccc2C1)C(=O)N[C@@]1(CCN(C1)C1CCCCC1)C#N)N1CCOCC1 |w:5.4|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a