Reaction Details Report a problem with these data
Target
Nonstructural protein 3
Ligand
BDBM50450046
Substrate
n/a
Meas. Tech.
ChEMBL_1986298 (CHEMBL4619845)
Ki
800±n/a nM
Citation
 Voss, S; Nitsche, C Inhibitors of the Zika virus protease NS2B-NS3. Bioorg Med Chem Lett 30:0 (2020) [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:
BDBM50450046
Synonyms:
CHEMBL4173974
Type:
Small organic molecule
Emp. Form.:
C30H42FN5O3
Mol. Mass.:
539.6846
SMILES:
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nc(CO)c(Cc4ccc(F)cc4)cc23)[C@@H](CN2CCOC[C@H]2C)CN1 |r|
Structure:
Search PDB for entries with ligand similarity: