Reaction Details Report a problem with these data
Target
Nonstructural protein 3
Ligand
BDBM50513999
Substrate
n/a
Meas. Tech.
ChEMBL_1905413 (CHEMBL4407771)
IC50
100±n/a nM
Citation
 Rassias, G; Zogali, V; Swarbrick, CMD; Ki Chan, KW; Chan, SA; Gwee, CP; Wang, S; Kaplanai, E; Canko, A; Kiousis, D; Lescar, J; Luo, D; Matsoukas, MT; Vasudevan, SG Cell-active carbazole derivatives as inhibitors of the zika virus protease. Eur J Med Chem 180:536-545 (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:
BDBM50513999
Synonyms:
CHEMBL4435769
Type:
Small organic molecule
Emp. Form.:
C23H18ClN3O5S
Mol. Mass.:
483.924
SMILES:
COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2cccc(c2)-c2ccccc2Cl)cc1N
Structure:
Search PDB for entries with ligand similarity: