Drug Information

Drug General Information
Drug ID
D0K0KT
Former ID
DNC006567
Drug Name
Cbz-Glu(OtBu)-Ala-LeuVSMe
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528196]
Structure
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2D MOL

3D MOL
Formula
C28H43N3O8S
Canonical SMILES
CC(C)CC(C=CS(=O)(=O)C)NC(=O)C(C)NC(=O)C(CCC(=O)OC(C)(C)<br />C)NC(=O)OCC1=CC=CC=C1
InChI
1S/C28H43N3O8S/c1-19(2)17-22(15-16-40(7,36)37)30-25(33)20(3)29-26(34)23(13-14-24(32)39-28(4,5)6)31-27(35)38-18-21-11-9-8-10-12-21/h8-12,15-16,19-20,22-23H,13-14,17-18H2,1-7H3,(H,29,34)(H,30,33)(H,31,35)/b16-15+/t20-,22+,23-/m0/s1
InChIKey
LRSBIKVQDTUNIU-DSNMTOQLSA-N
PubChem Compound ID
11621207
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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