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TargetCathepsin S
LigandBDBM50273216
Substrate/Competitorn/a
Meas. Tech.ChEMBL_509759
IC50 22±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:
BDBM50273216
NameBDBM50273216
Synonyms:2-cyano-4-((4,4-difluorocyclohexyl)methylamino)-N-phenethylpyrimidine-5-carboxamide | CHEMBL456755
TypeSmall organic molecule
Emp. Form.C21H23F2N5O
Mol. Mass.399.437
SMILESFC1(F)CCC(CNc2nc(ncc2C(=O)NCCc2ccccc2)C#N)CC1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a