Drug Information

Drug General Information
Drug ID
D05MDE
Former ID
DNC006568
Drug Name
Cbz-Ile-Pro-Ala-LeuVSMe
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528196]
Formula
C30H46N4O7S
Canonical SMILES
CCC(C)C(C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CC(C)C)C=CS(=O)(=<br />O)C)NC(=O)OCC2=CC=CC=C2
InChI
1S/C30H46N4O7S/c1-7-21(4)26(33-30(38)41-19-23-12-9-8-10-13-23)29(37)34-16-11-14-25(34)28(36)31-22(5)27(35)32-24(18-20(2)3)15-17-42(6,39)40/h8-10,12-13,15,17,20-22,24-26H,7,11,14,16,18-19H2,1-6H3,(H,31,36)(H,32,35)(H,33,38)/b17-15+/t21-,22-,24+,25-,26-/m0/s1
InChIKey
QUUKVNWZLKQWBG-DHJGLREUSA-N
PubChem Compound ID
11505372
Target and Pathway
Target(s) Cathepsin S Target Info Inhibitor [528196]
KEGG Pathway Lysosome
Phagosome
Antigen processing and presentation
Tuberculosis
NetPath Pathway Leptin Signaling Pathway
IL2 Signaling Pathway
Reactome Endosomal/Vacuolar pathway
Degradation of the extracellular matrix
Trafficking and processing of endosomal TLR
Assembly of collagen fibrils and other multimeric structures
MHC class II antigen presentation
WikiPathways Class I MHC mediated antigen processing & presentation
Trafficking and processing of endosomal TLR
References
Ref 528196J Med Chem. 2006 May 18;49(10):2953-68.Optimization of subsite binding to the beta5 subunit of the human 20S proteasome using vinyl sulfones and 2-keto-1,3,4-oxadiazoles: syntheses and cellular properties of potent, selective proteasome inhibitors.
Ref 528196J Med Chem. 2006 May 18;49(10):2953-68.Optimization of subsite binding to the beta5 subunit of the human 20S proteasome using vinyl sulfones and 2-keto-1,3,4-oxadiazoles: syntheses and cellular properties of potent, selective proteasome inhibitors.