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TargetCathepsin S
LigandBDBM19733
Substrate/CompetitorBDBM19963
Meas. Tech.Enzyme Inhibition Assay
IC50 0.23±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: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:
BDBM19733
BDBM19963
NameBDBM19733
Synonyms:2-Cyano-pyrimidine, 16c | 2-cyano-4-(cyclohexylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
TypeSmall organic molecule
Emp. Form.C21H25N5O2
Mol. Mass.379.4555
SMILESCOc1cccc(CCNC(=O)c2cnc(nc2NC2CCCCC2)C#N)c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: