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TargetCathepsin S
LigandBDBM19741
Substrate/CompetitorBDBM19963
Meas. Tech.Enzyme Inhibition Assay
IC50 2.5±n/a nM
Citation Altmann, EAichholz, RBetschart, CBuhl, TGreen, JIrie, OTeno, NLattmann, RTintelnot-Blomley, MMissbach, M 2-Cyano-pyrimidines: a new chemotype for inhibitors of the cysteine protease cathepsin K. J Med Chem50:591-4 (2007) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  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:
BDBM19741
NameBDBM19741
Synonyms:2-Cyano-pyrimidine, 17f | 2-cyano-4-[(2,2-dimethylpropyl)amino]-N-(2-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}ethyl)pyrimidine-5-carboxamide
TypeSmall organic molecule
Emp. Form.C25H35N7O
Mol. Mass.449.5917
SMILESCN1CCN(Cc2ccc(CCNC(=O)c3cnc(nc3NCC(C)(C)C)C#N)cc2)CC1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
BDBM19963
NameBDBM19963
Synonyms:Cbz-Leu-Leu-Arg-AMC | Fluorogenic substrate | Z-Leu-Leu-Arg-AMC
Typen/a
Emp. Form.n/a
Mol. Mass.n/a
SMILESn/a
Structure