DRAVP ID  DRAVPe01659

Peptide Name   compound 2

Sequence  YXKXKXXKXXKC

Sequence Length  12

UniProt ID  No entry found

Source  Synthetic construct

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=0.25 ± 0.01 μM);
• Dengue virus serotype 2:inhibition of flaviviral Protease(Zika virus NS2B-NS3 protease) activity in Huh-7 cells(IC50=1.7 ± 0.1 μM);
• West Nile virus:inhibition of flaviviral Protease(West Nile virus NS2B-NS3 protease) activity in Huh-7 cells(IC50=3.9 ± 0.4 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

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 2,7,9 and 10 indicates MeYMe(N-methyl-4-O-methyl-tyrosine), position 4 indicates MeF(N-methyl-phenylalanine), position 6 indicates MeS(N-methyl-serine).

Stereochemistry  L

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