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TargetCathepsin S
LigandBDBM50135535
Substrate/Competitorn/a
Meas. Tech.ChEBML_48682
IC50 780±n/a nM
Citation Greenspan, PDClark, KLCowen, SDMcQuire, LWTommasi, RAFarley, DLQuadros, ECoppa, DEDu, ZFang, ZZhou, HDoughty, JToscano, KTWigg, AMZhou, S N-arylaminonitriles as bioavailable peptidomimetic inhibitors of cathepsin B. Bioorg Med Chem Lett13:4121-4 (2003) [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:
BDBM50135535
NameBDBM50135535
Synonyms:3-{(R)-2-Cyano-2-[(S)-2-(1,1-dimethyl-3-oxo-1,3-dihydro-isobenzofuran-5-ylamino)-3-m-tolyl-propionylamino]-ethoxymethyl}-benzoic acid | CHEMBL131732
TypeSmall organic molecule
Emp. Form.C31H31N3O6
Mol. Mass.541.5943
SMILESCc1cccc(C[C@H](Nc2ccc3c(c2)C(=O)OC3(C)C)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a