Reaction Details Report a problem with these data
Target
Nonstructural protein 3
Ligand
BDBM50509482
Substrate
n/a
Meas. Tech.
ChEMBL_1838450 (CHEMBL4338583)
IC50
320±n/a nM
Citation
 Millies, B; von Hammerstein, F; Gellert, A; Hammerschmidt, S; Barthels, F; Göppel, U; Immerheiser, M; Elgner, F; Jung, N; Basic, M; Kersten, C; Kiefer, W; Bodem, J; Hildt, E; Windbergs, M; Hellmich, UA; Schirmeister, T Proline-Based Allosteric Inhibitors of Zika and Dengue Virus NS2B/NS3 Proteases. J Med Chem 62:11359-11382 (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:
BDBM50509482
Synonyms:
CHEMBL4462325
Type:
Small organic molecule
Emp. Form.:
C18H16N4O7S2
Mol. Mass.:
464.472
SMILES:
Oc1cc2nc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(cc3)[N+]([O-])=O)sc2cc1O |r|
Structure:
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