Reaction Details Report a problem with these data
Target
Nonstructural protein 3
Ligand
BDBM50538478
Substrate
n/a
Meas. Tech.
ChEMBL_1972915 (CHEMBL4605733)
Ki
11500±n/a nM
Citation
 Pach, S; Sarter, TM; Yousef, R; Schaller, D; Bergemann, S; Arkona, C; Rademann, J; Nitsche, C; Wolber, G Catching a Moving Target: Comparative Modeling of Flaviviral NS2B-NS3 Reveals Small Molecule Zika Protease Inhibitors. ACS Med Chem Lett 11:514-520 (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:
BDBM50538478
Synonyms:
CHEMBL4634219
Type:
Small organic molecule
Emp. Form.:
C19H30N2O5
Mol. Mass.:
366.4519
SMILES:
COc1cc(CN2CC(O)C2)ccc1OCC(O)CN1CCC(O)CC1
Structure:
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