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TargetCathepsin S
LigandBDBM50098576
Substrate/Competitorn/a
Meas. Tech.ChEMBL_216712
Ki 14±n/a nM
Citation Marquis RWRu YLoCastro SMZeng JYamashita DSOh HJErhard KFDavis LDTomaszek TATew DSalyers KProksch JWard KSmith BLevy MCummings MDHaltiwanger RCTrescher GWang BHemling MEQuinn CJCheng HYLin FSmith WWJanson CAZhao BMcQueney MSD'Alessio KLee CPMarzulli ADodds RABlake SHwang SMJames IEGress CJBradley BRLark MWGowen MVeber DF Azepanone-based inhibitors of human and rat cathepsin K. J Med Chem 44:1380-95 (2001) [PubMed]
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:
BDBM50098576
n/a
NameBDBM50098576
Synonyms:5-(2-MORPHOLIN-4-YLETHOXY)BENZOFURAN-2-CARBOXYLIC ACID ((S)-3-METHYL-1-{(S)-3-OXO-1-[2-(3-PYRIDIN-2-YLPHENYL)ACETYL]AZEPAN-4-YLCARBAMOYL}BUTYL)AMIDE | 5-(2-Morpholin-4-yl-ethoxy)-benzofuran-2-carboxylic acid (3-methyl-1-{3-oxo-1-[2-(3-pyridin-2-yl-phenyl)-acetyl]-azepan-4-ylcarbamoyl}-butyl)-amide | CHEMBL284939
TypeSmall organic molecule
Emp. Form.C40H47N5O7
Mol. Mass.709.8305
SMILESCC(C)C[C@H](NC(=O)c1cc2cc(OCCN3CCOCC3)ccc2o1)C(=O)N[C@H]1CCCN(CC1=O)C(=O)Cc1cccc(c1)-c1ccccn1
Structure
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