Drug Information

Drug General Information
Drug ID
D0Y5IQ
Former ID
DNC010158
Drug Name
GRASSYSTATIN A
Drug Type
Small molecular drug
Indication Discovery agent Investigative [543236]
Structure
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2D MOL

3D MOL
Formula
C58H95N9O16
InChI
InChI=1S/C58H95N9O16/c1-30(2)25-38(43(69)29-45(71)64-46(36(12)68)52(74)60-35(11)54(76)66(15)42(27-37-21-18-17-19-22-37)55(77)67-24-20-23-41(67)56(78)81-16)61-51(73)40(28-44(59)70)62-50(72)39(26-31(3)4)63-53(75)48(33(7)8)82-58(80)49(34(9)10)83-57(79)47(32(5)6)65(13)14/h17-19,21-22,30-36,38-43,46-49,68-69H,20,23-29H2,1-16H3,(H2,59,70)(H,60,74)(H,61,73)(H,62,72)(H,63,75)(H,64,71)/t35-,36+,38-,39-,40-,41-,42+,43-,46-,47-,48+,49-/m0/s1
InChIKey
JZYWSTGTBRHGTL-BIXXXADNSA-N
PubChem Compound ID
44255320
PubChem Substance ID
85290075, 97087023, 103704733, 104156468, 134347363, 252166874
Target and Pathway
Target(s) Caspase-11 Target Info Inhibitor [530345]
Trypsin Target Info Inhibitor [530345]
Cathepsin D Target Info Inhibitor [530345]
Elastase 1 Target Info Inhibitor [530345]
Plasminogen Target Info Inhibitor [530345]
Tryptase Target Info Inhibitor [530345]
BioCyc Pathway Thyroid hormone biosynthesis
KEGG Pathway Neuroactive ligand-receptor interaction
Pancreatic secretion
Protein digestion and absorption
Influenza Ahsa04071:Sphingolipid signaling pathway
Lysosome
Tuberculosishsa04080:Neuroactive ligand-receptor interaction
Complement and coagulation cascades
Staphylococcus aureus infection
Influenza A
NetPath Pathway IL2 Signaling Pathway
PANTHER Pathway Blood coagulation
Plasminogen activating cascade
Pathway Interaction Database LKB1 signaling events
Ceramide signaling pathway
Direct p53 effectors
Validated nuclear estrogen receptor alpha networkangiopoietinreceptor_pathway:Angiopoietin receptor Tie2-mediated signaling
p75(NTR)-mediated signaling
amb2 Integrin signaling
Syndecan-4-mediated signaling events
Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling
PathWhiz Pathway Coagulation
Reactome Activation of Matrix Metalloproteinases
Cobalamin (Cbl, vitamin B12) transport and metabolismR-HSA-1442490:Collagen degradation
Metabolism of Angiotensinogen to Angiotensins
MHC class II antigen presentationR-HSA-114608:Platelet degranulation
Degradation of the extracellular matrix
Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs)
Dissolution of Fibrin ClotR-HSA-1592389:Activation of Matrix Metalloproteinases
WikiPathways Activation of Matrix MetalloproteinasesWP558:Complement and Coagulation Cascades
Human Complement System
Regulation of Insulin-like Growth Factor (IGF) Transport and Uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs)
Activation of Matrix Metalloproteinases
Blood Clotting Cascade
Dissolution of Fibrin Clot
Folate Metabolism
Vitamin B12 Metabolism
Selenium Micronutrient Network
References
Ref 543236(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 8674).
Ref 530345J Med Chem. 2009 Sep 24;52(18):5732-47.Grassystatins A-C from marine cyanobacteria, potent cathepsin E inhibitors that reduce antigen presentation.

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