Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCathepsin S
LigandBDBM50223927
Substrate/Competitorn/a
Meas. Tech.ChEMBL_458258 (CHEMBL924504)
IC50 160±n/a nM
Citation Teno, NMiyake, TEhara, TIrie, OSakaki, JOhmori, OGunji, HMatsuura, NMasuya, KHitomi, YNonomura, KHoriuchi, MGohda, KIwasaki, AUmemura, ITada, SKometani, MIwasaki, GCowan-Jacob, SWMissbach, MLattmann, RBetschart, C Novel scaffold for cathepsin K inhibitors. Bioorg Med Chem Lett17:6096-100 (2007) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cathepsin S
Name:Cathepsin S
Synonyms:CATS_HUMAN | 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:
BDBM50223927
n/a
NameBDBM50223927
Synonyms:CHEMBL251186 | N-(4-((2-cyano-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methyl)phenyl)methanesulfonamide
TypeSmall organic molecule
Emp. Form.C20H23N5O2S
Mol. Mass.397.494
SMILESCC(C)(C)Cn1c(Cc2ccc(NS(C)(=O)=O)cc2)cc2cnc(nc12)C#N
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: