Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCathepsin S
LigandBDBM50169497
Substrate/Competitorn/a
Meas. Tech.ChEMBL_306593
IC50 19000±n/a nM
Citation Barrett, DGBoncek, VMCatalano, JGDeaton, DNHassell, AMJurgensen, CHLong, STMcFadyen, RBMiller, ABMiller, LRPayne, JARay, JASamano, VShewchuk, LMTavares, FXWells-Knecht, KJWillard, DHWright, LLZhou, HQ P2-P3 conformationally constrained ketoamide-based inhibitors of cathepsin K. Bioorg Med Chem Lett15:3540-6 (2005) [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:
BDBM50169497
NameBDBM50169497
Synonyms:(S)-3,3-dimethyl-1-(4-(4-(trifluoromethyl)phenyl)-1H-imidazol-1-yl)butan-2-yl(S)-1,2-dioxo-1-(thiazol-2-ylamino)heptan-3-ylcarbamate | CHEMBL187864 | [(S)-1-(Thiazol-2-ylaminooxalyl)-pentyl]-carbamic acid (S)-2,2-dimethyl-1-[4-(4-trifluoromethyl-phenyl)-imidazol-1-ylmethyl]-propyl ester
TypeSmall organic molecule
Emp. Form.C27H32F3N5O4S
Mol. Mass.579.634
SMILESCCCC[C@H](NC(=O)O[C@H](Cn1cnc(c1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1nccs1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a