Reaction Details Report a problem with these data
Target
Nonstructural protein 3
Ligand
BDBM50579316
Substrate
n/a
Meas. Tech.
ChEMBL_2134892 (CHEMBL4844502)
IC50
450±n/a nM
Citation
 Nie, S; Zhao, J; Wu, X; Yao, Y; Wu, F; Lin, YL; Li, X; Kneubehl, AR; Vogt, MB; Rico-Hesse, R; Song, Y Synthesis, structure-activity relationship and antiviral activity of indole-containing inhibitors of Flavivirus NS2B-NS3 protease. Eur J Med Chem 225:0 (2021) [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:
BDBM50579316
Synonyms:
CHEMBL4852919
Type:
Small organic molecule
Emp. Form.:
C26H33N5O
Mol. Mass.:
431.5731
SMILES:
O=C(NCC1CCNCC1)c1c[nH]c2nc(ccc12)-c1ccc(CN2CCCCC2)cc1
Structure:
Search PDB for entries with ligand similarity: