Drug Information

Drug General Information
Drug ID
D0B3US
Former ID
DNC006570
Drug Name
Cbz-Ile-MetO2-Ala-LeuVSMe
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528196]
Structure
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2D MOL

3D MOL
Formula
C29H46N4O9S2
Canonical SMILES
CCC(C)C(C(=O)NC(CS(=O)(=O)C)C(=O)NC(C)C(=O)NC(CC(C)C)C=<br />CS(=O)(=O)C)NC(=O)OCC1=CC=CC=C1
InChI
1S/C29H46N4O9S2/c1-8-20(4)25(33-29(37)42-17-22-12-10-9-11-13-22)28(36)32-24(18-44(7,40)41)27(35)30-21(5)26(34)31-23(16-19(2)3)14-15-43(6,38)39/h9-15,19-21,23-25H,8,16-18H2,1-7H3,(H,30,35)(H,31,34)(H,32,36)(H,33,37)/b15-14+/t20-,21-,23+,24-,25-/m0/s1
InChIKey
HIMUOMBMABFMIW-VHISICEBSA-N
PubChem Compound ID
11585523
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.

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