Reaction Details Report a problem with these data
Target
Nonstructural protein 3
Ligand
BDBM50513889
Substrate
n/a
Meas. Tech.
ChEMBL_1854891 (CHEMBL4355620)
Ki
430±n/a nM
Citation
 da Silva-Júnior, EF; de Araújo-Júnior, JX Peptide derivatives as inhibitors of NS2B-NS3 protease from Dengue, West Nile, and Zika flaviviruses. Bioorg Med Chem 27:3963-3978 (2019) [PubMed]  Article 
Target
Name:
Nonstructural protein 3
Synonyms:
Genome polyprotein | NS3
Type:
PROTEIN
Mol. Mass.:
7653.58
Organism:
Zika virus
Description:
ChEMBL_119671
Residue:
66
Sequence:
AETDEDHAHWLEARMLLDNIYLQDGLIASLYRPEADKVAAIEGEFKLRTEQRKTFVELMKRGDLPV
  
Inhibitor
Name:
BDBM50513889
Synonyms:
CHEMBL4586476
Type:
Small organic molecule
Emp. Form.:
C36H58N18O4
Mol. Mass.:
806.9639
SMILES:
NC(=N)NCCC[C@H](NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
Structure:
Search PDB for entries with ligand similarity: