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Target
Cathepsin S
Ligand
BDBM50169496
Substrate
n/a
Meas. Tech.
ChEMBL_306593 (CHEMBL832940)
IC50
750±n/a nM
Citation
 Barrett, DG; Boncek, VM; Catalano, JG; Deaton, DN; Hassell, AM; Jurgensen, CH; Long, ST; McFadyen, RB; Miller, AB; Miller, LR; Payne, JA; Ray, JA; Samano, V; Shewchuk, LM; Tavares, FX; Wells-Knecht, KJ; Willard, DH; Wright, LL; Zhou, HQ P2-P3 conformationally constrained ketoamide-based inhibitors of cathepsin K. Bioorg Med Chem Lett 15:3540-6 (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:
BDBM50169496
Synonyms:
(R)-3,3-dimethyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-2-yl(S)-1,2-dioxo-1-((R)-1-phenylethylamino)heptan-3-ylcarbamate | CHEMBL186778 | [(S)-1-(1-Phenyl-ethylaminooxalyl)-pentyl]-carbamic acid (R)-2,2-dimethyl-1-(5-phenyl-[1,3,4]oxadiazol-2-ylmethyl)-propyl ester
Type:
Small organic molecule
Emp. Form.:
C30H38N4O5
Mol. Mass.:
534.6465
SMILES:
CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccccc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Structure:
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