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MYP_091136
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Basic Information
compound 4
Antimicrobial
Antiviral
Antiviral ▸ Anti-Flavivirus ▸ Anti-Dengue virus
Antiviral ▸ Anti-Flavivirus ▸ Anti-West Nile virus
Antiviral ▸ Antiviral mechanism ▸ Viral entry inhibition
Membrane / Ion-channel modulation ▸ Potassium channel modulation ▸ Potassium channel inhibitor
not Standard
12 amino acids
-
contains X representing unresolved or non-standard residue
Sequence
YXIAKYNXXIPC
Physicochemical Analysis
0.00 Da
0.00
0.00
0.00
0.00
0.00
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Residue Composition
Amino Acid Composition
Chemical Descriptors
Structural Visualization
3D PDB MODEL
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2D CHEMICAL STRUCTURE
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Experimental Records
RECORD: Rec_0070216 VERIFIED: YES
Provenance & Taxonomy
synthetic construct [Synthetic]
Synthetic peptide
32630
Structure & Mods
linear peptide [Linear]
noncanonical stereochemical modification [Modified]
Thioether-acyl moiety (-S-Ac-)(forms a macrocycle through the side chain of the underlined cysteine residue)
Amidation
The 'X' at position 2 indicates N-methyl-glycine, position 8 and 9 indicates N-methyl-4-O-methyl-tyrosine.; Thioether-acyl moiety (-S-Ac-)(forms a macrocycle through the side chain of the underlined cysteine residue)
Bio-Activity Profile
Antiviral Anti-DENV Entry inhibition
Dengue virus serotype 2 | Huh-7 cells
20 μM
IC50
Mammalian: 2.8 h; Yeast: 10 min; E. coli: 2 min
PaperDe Novo Discovery of Nonstandard Macrocyclic Peptides as Noncompetitive Inhibitors of the Zika Virus NS2B-NS3 Protease. | Nitsche C, Passioura T, Varava P, Mahawaththa MC, Leuthold MM, Klein CD, Suga H, Otting G. | ACS Med Chem Lett. 2019 Jan 4;10(2):168-174. | DOI:10.1021/acsmedchemlett.8b00535 | PMID:30783498 PMID30783498 Evidence URLhttps://pubmed.ncbi.nlm.nih.gov/30783498/
RECORD: Rec_0124565 VERIFIED: YES
Provenance & Taxonomy
synthetic construct [Synthetic]
32630
Structure & Mods
linear peptide [Linear]
canonical L-amino-acid peptide [L]
Cyclization
Amidation
The 'X' at position 2 indicates N-methyl-glycine, position 8 and 9 indicates N-methyl-4-O-methyl-tyrosine
Bio-Activity Profile
Antimicrobial Antiviral
Dengue virus serotype 2:inhibition of flaviviral Protease(Zika virus NS2B-NS3 protease) activity in Huh-7 cells
20 μM
IC50
PMID30783498 Evidence URLhttps://pubmed.ncbi.nlm.nih.gov/30783498/
RECORD: Rec_0125425 VERIFIED: YES
Provenance & Taxonomy
synthetic construct [Synthetic]
32630
Structure & Mods
synthetic linear peptide [Linear]
canonical L-amino-acid peptide [L]
is attached to thioether-acyl moiety (-S-Ac-) forms a macrocycle through the side chain of the underlined cysteine residue
Amidation
non-canonical residue code at 2; MeYMe= N-methyl-4-O-methyl-tyrosine, Z = MeF= N-methyl-phenylalanine, B = MeS= N-methyl-serine, J = MeG= N-methyl-glycine, U = MeL= N-methyl-leucine, D-Y, D-tyrosine. C-terminal = NH2 at 8,9; MeYMe= N-methyl-4-O-methyl-tyrosine, Z = MeF= N-methyl-phenylalanine, B = MeS= N-methyl-serine, J = MeG= N-methyl-glycine, U = MeL= N-methyl-leucine, D-Y, D-tyrosine. C-terminal = NH2; Thioether linkage
Bio-Activity Profile
Antiviral
Zika virus NS2B-NS3 protease
4.6±0.3 μM
IC50
PMID30783498 Evidence URLhttps://pubmed.ncbi.nlm.nih.gov/30783498/
RECORD: Rec_0131212 VERIFIED: YES
Provenance & Taxonomy
synthetic construct [Synthetic]
Synthetic peptide
32630
Structure & Mods
linear peptide [Linear]
noncanonical stereochemical modification [Modified]
Thioether-acyl moiety (-S-Ac-)(forms a macrocycle through the side chain of the underlined cysteine residue)
Amidation
The 'X' at position 2 indicates N-methyl-glycine, position 8 and 9 indicates N-methyl-4-O-methyl-tyrosine.; Thioether-acyl moiety (-S-Ac-)(forms a macrocycle through the side chain of the underlined cysteine residue)
Bio-Activity Profile
Antiviral Anti-ZIKV Entry inhibition
Zika virus (ZIKV) | Huh-7 cells
4.6±0.3 μM
IC50
Mammalian: 2.8 h; Yeast: 10 min; E. coli: 2 min
PaperDe Novo Discovery of Nonstandard Macrocyclic Peptides as Noncompetitive Inhibitors of the Zika Virus NS2B-NS3 Protease. | Nitsche C, Passioura T, Varava P, Mahawaththa MC, Leuthold MM, Klein CD, Suga H, Otting G. | ACS Med Chem Lett. 2019 Jan 4;10(2):168-174. | DOI:10.1021/acsmedchemlett.8b00535 | PMID:30783498 PMID30783498 Evidence URLhttps://pubmed.ncbi.nlm.nih.gov/30783498/
RECORD: Rec_0231123 VERIFIED: YES
Provenance & Taxonomy
synthetic construct [Synthetic]
32630
Structure & Mods
synthetic linear peptide [Linear]
canonical L-amino-acid peptide [L]
is attached to thioether-acyl moiety (-S-Ac-) forms a macrocycle through the side chain of the underlined cysteine residue
Amidation
non-canonical residue code at 2; MeYMe= N-methyl-4-O-methyl-tyrosine, Z = MeF= N-methyl-phenylalanine, B = MeS= N-methyl-serine, J = MeG= N-methyl-glycine, U = MeL= N-methyl-leucine, D-Y, D-tyrosine. C-terminal = NH2 at 8,9; MeYMe= N-methyl-4-O-methyl-tyrosine, Z = MeF= N-methyl-phenylalanine, B = MeS= N-methyl-serine, J = MeG= N-methyl-glycine, U = MeL= N-methyl-leucine, D-Y, D-tyrosine. C-terminal = NH2; Thioether linkage
Bio-Activity Profile
Antiviral
Dengue virus serotype 2 NS2B-NS3 protease
20 μM
IC50
PMID30783498 Evidence URLhttps://pubmed.ncbi.nlm.nih.gov/30783498/
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