Reaction Details Report a problem with these data
Target
Nonstructural protein 3
Ligand
BDBM50542237
Substrate
n/a
Meas. Tech.
ChEMBL_1986298 (CHEMBL4619845)
IC50
300±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:
BDBM50542237
Synonyms:
Cudc 427 | Cudc-427 | Gdc-0917
Type:
Small organic molecule
Emp. Form.:
C29H36N6O4S
Mol. Mass.:
564.699
SMILES:
CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)Nc1sc(nc1-c1ccccc1)-c1ncco1
Structure:
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