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TargetCathepsin S
LigandBDBM50252504
Substrate/Competitorn/a
Meas. Tech.ChEMBL_487680
IC50 150±n/a nM
Citation Irie, OEhara, TIwasaki, AYokokawa, FSakaki, JHirao, HKanazawa, TTeno, NHoriuchi, MUmemura, IGunji, HMasuya, KHitomi, YIwasaki, GNonomura, KTanabe, KFukaya, HKosaka, TSnell, CRHallett, A Discovery of selective and nonpeptidic cathepsin S inhibitors. Bioorg Med Chem Lett18:3959-62 (2008) [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:
BDBM50252504
NameBDBM50252504
Synonyms:6-(4-chlorobenzyl)-7-(3-cyclohexylpropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile | CHEMBL494886
TypeSmall organic molecule
Emp. Form.C23H25ClN4
Mol. Mass.392.924
SMILESClc1ccc(Cc2cc3cnc(nc3n2CCCC2CCCCC2)C#N)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a