Drug Information

Drug General Information
Drug ID
D0A5WN
Former ID
DNC006562
Drug Name
PTosyl-Glu(OtBu)-Ala-LeuVSMe
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528196]
Structure
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2D MOL

3D MOL
Formula
C27H43N3O8S2
Canonical SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(CCC(=O)OC(C)(C)C)C(=O)NC(C)C(<br />=O)NC(CC(C)C)C=CS(=O)(=O)C
InChI
1S/C27H43N3O8S2/c1-18(2)17-21(15-16-39(8,34)35)29-25(32)20(4)28-26(33)23(13-14-24(31)38-27(5,6)7)30-40(36,37)22-11-9-19(3)10-12-22/h9-12,15-16,18,20-21,23,30H,13-14,17H2,1-8H3,(H,28,33)(H,29,32)/b16-15+/t20-,21+,23-/m0/s1
InChIKey
RSODQDWVGCCUGL-HSNUOWKJSA-N
PubChem Compound ID
11621347
Target and Pathway
Target(s) Cathepsin B Target Info Inhibitor [528196]
KEGG Pathway Lysosome
Antigen processing and presentation
NetPath Pathway TCR Signaling Pathway
IL2 Signaling Pathway
Reactome Collagen degradation
Trafficking and processing of endosomal TLR
Assembly of collagen fibrils and other multimeric structures
MHC class II antigen presentation
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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