General Information


DRAVP ID  DRAVPe01661

Peptide Name   compound 4

Sequence  YXIAKYNXXIPC

Sequence Length  12

UniProt ID  No entry found

Source  Synthetic construct



Activity Information


Target Organism  ZIKV,DENV,WNV

Assay  protease enzymatic inhibition assay

Activity 

  • [Ref.30783498]Zika Virus(ZIKV):inhibition of flaviviral Protease(Zika virus NS2B-NS3 protease) activity in Huh-7 cells(IC50=4.6 ± 0.3 μM);
  • Dengue virus serotype 2:inhibition of flaviviral Protease(Zika virus NS2B-NS3 protease) activity in Huh-7 cells(IC50≥20 μM);
  • West Nile virus:inhibition of flaviviral Protease(West Nile virus NS2B-NS3 protease) activity in Huh-7 cells(IC50≥20 μM).

Hemolytic Activity  No hemolysis information or data found in the reference(s) presented in this entry

Cytotoxicity  No cytotoxicity information found in the reference(s) presented

Binding Target  NS2B-NS3 protease

Mechanism  No machanism information found in the reference(s) presented in this entry



Structure Information


PDB ID  None

Predicted Structure Download  No predicted structure available

Linear/Cyclic  Linear

N-terminal Modification  Thioether-acyl moiety (−S-Ac−)(forms a macrocycle through the side chain of the underlined cysteine residue)

C-terminal Modification  Amidation

Other Modification  The 'X' at position 2 indicates N-methyl-glycine, position 8 and 9 indicates N-methyl-4-O-methyl-tyrosine.

Stereochemistry  L



Physicochemical Information


Formula  C51H71N11O10S

Absent amino acids  DEFGHLMQRSTVW

Common amino acids  X

Mass  1418.29

Pl  8.18

Basic residues  1

Acidic residues  0

Hydrophobic residues  3

Net charge  1

Boman Index  46

Hydrophobicity  14.17

Aliphatic Index  73.33

Half Life 

  •     Mammalian:2.8 hour
  •     Yeast:10 min
  •     E.coli:2 min

Extinction Coefficient cystines  2980

Absorbance 280nm  270.91

Polar residues  4



Literature Information


Literature 1

Title   De Novo Discovery of Nonstandard Macrocyclic Peptides as Noncompetitive Inhibitors of the Zika Virus NS2B-NS3 Protease.

Pubmed ID   30783498

Reference   ACS Med Chem Lett. 2019 Jan 4;10(2):168-174.

Author   Nitsche C, Passioura T, Varava P, Mahawaththa MC, Leuthold MM, Klein CD, Suga H, Otting G.

DOI   10.1021/acsmedchemlett.8b00535