Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetNonstructural protein 3
LigandBDBM50567535
Substrate/Competitorn/a
Meas. Tech.ChEMBL_2103470 (CHEMBL4811973)
IC50 240±n/a nM
Citation Nie, SYao, YWu, FWu, XZhao, JHua, YWu, JHuo, TLin, YLKneubehl, ARVogt, MBFerreon, JRico-Hesse, RSong, Y Synthesis, Structure-Activity Relationships, and Antiviral Activity of Allosteric Inhibitors of Flavivirus NS2B-NS3 Protease. J Med Chem64:2777-2800 (2021) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Nonstructural protein 3
Name:Nonstructural protein 3
Synonyms:Genome polyprotein | NS3
Type:PROTEIN
Mol. Mass.:7653.58
Organism:Zika virus
Description:ChEMBL_119671
Residue:66
Sequence:
AETDEDHAHWLEARMLLDNIYLQDGLIASLYRPEADKVAAIEGEFKLRTEQRKTFVELMK
RGDLPV
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50567535
n/a
NameBDBM50567535
Synonyms:CHEMBL4861948
TypeSmall organic molecule
Emp. Form.C28H30N4O2
Mol. Mass.454.5634
SMILESCC(Oc1cnc(-c2ccc(CN)cc2)c(n1)-c1ccc(cc1)-c1ccoc1)C1CCNCC1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: