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Target
Cathepsin S
Ligand
BDBM50165420
Substrate
n/a
Meas. Tech.
ChEMBL_306629 (CHEMBL829931)
IC50
16±n/a nM
Citation
 Barrett, DG; Catalano, JG; Deaton, DN; Long, ST; McFadyen, RB; Miller, AB; Miller, LR; Wells-Knecht, KJ; Wright, LL A structural screening approach to ketoamide-based inhibitors of cathepsin K. Bioorg Med Chem Lett 15:2209-13 (2005) [PubMed]  Article 
Target
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:
MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVMLHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVDWREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGCNGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKEAVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSWGHNFGEEGYIRMARNKGNHCGIASFPSYPEI
  
Inhibitor
Name:
BDBM50165420
Synonyms:
CHEMBL197509 | [(S)-1-((R)-1-Phenyl-ethylaminooxalyl)-pentyl]-carbamic acid adamantan-2-yl ester
Type:
Small organic molecule
Emp. Form.:
C26H36N2O4
Mol. Mass.:
440.575
SMILES:
CCCC[C@H](NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)C(=O)N[C@H](C)c1ccccc1 |wD:4.4,24.27,TLB:18:17:15:12.11.13,THB:13:12:9:14.16.15,13:14:9:12.11.18,8:9:15:12.11.13,18:12:9.17.16:15,(1.45,-4.67,;2.78,-3.9,;2.78,-2.36,;4.11,-1.59,;4.11,-.05,;2.78,.72,;1.45,-.05,;1.45,-1.59,;.12,.72,;-1.21,-.05,;-1.23,-1.57,;-2.63,-1.92,;-3.96,-1.43,;-5.15,-2.71,;-3.66,-2.29,;-2.24,-2.85,;-3.66,-.7,;-2.61,.53,;-3.96,.06,;5.44,.72,;5.44,2.26,;6.77,-.05,;6.77,-1.59,;8.12,.72,;9.45,-.05,;10.79,.72,;9.45,-1.59,;8.1,-2.34,;8.1,-3.88,;9.45,-4.65,;10.79,-3.88,;10.78,-2.34,)|
Structure:
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