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Target
Nonstructural protein 3
Ligand
BDBM50567535
Substrate
n/a
Meas. Tech.
ChEMBL_2103470 (CHEMBL4811973)
IC50
240±n/a nM
Citation
 Nie, S; Yao, Y; Wu, F; Wu, X; Zhao, J; Hua, Y; Wu, J; Huo, T; Lin, YL; Kneubehl, AR; Vogt, MB; Ferreon, J; Rico-Hesse, R; Song, Y Synthesis, Structure-Activity Relationships, and Antiviral Activity of Allosteric Inhibitors of Flavivirus NS2B-NS3 Protease. J Med Chem 64:2777-2800 (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:
BDBM50567535
Synonyms:
CHEMBL4861948
Type:
Small organic molecule
Emp. Form.:
C28H30N4O2
Mol. Mass.:
454.5634
SMILES:
CC(Oc1cnc(-c2ccc(CN)cc2)c(n1)-c1ccc(cc1)-c1ccoc1)C1CCNCC1
Structure:
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