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TargetCathepsin S
LigandBDBM50263668
Substrate/Competitorn/a
Meas. Tech.ChEMBL_509759
IC50 2±n/a nM
Citation Irie, OYokokawa, FEhara, TIwasaki, AIwaki, YHitomi, YKonishi, KKishida, MToyao, AMasuya, KGunji, HSakaki, JIwasaki, GHirao, HKanazawa, TTanabe, KKosaka, THart, TWHallett, A 4-Amino-2-cyanopyrimidines: novel scaffold for nonpeptidic cathepsin S inhibitors. Bioorg Med Chem Lett18:4642-6 (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:
BDBM50263668
NameBDBM50263668
Synonyms:2-Cyano-4-[2-(1-methyl-piperidin-4-yl)-ethoxy]-6-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrimidine-5-carboxylic acid methylamide | CHEMBL514545
TypeSmall organic molecule
Emp. Form.C24H36N6O2
Mol. Mass.440.5816
SMILESCNC(=O)c1c(NCC2CCC3(CC3)CC2)nc(nc1OCCC1CCN(C)CC1)C#N
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a