DRAVP ID  DRAVPe01661

Peptide Name   compound 4

Sequence  YXIAKYNXXIPC

Sequence Length  12

UniProt ID  No entry found

Taxon ID  None

Source  Synthetic construct

Validation   Experimentally Validated

Gene Name/ID  Not Available

GenBank  Not Available

Amino Acid position  Not Available

Domain Accession ID  Not Available

Nucleotide sequence ID  Not Available

Molecular Type  Not Available

Chromosomal Position  Not available

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

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

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