Reaction Details Report a problem with these data
Target
Nonstructural protein 3
Ligand
BDBM50071920
Substrate
n/a
Meas. Tech.
ChEMBL_1986301 (CHEMBL4619848)
EC50
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:
BDBM50071920
Synonyms:
Birinapant | TL-32711
Type:
Small organic molecule
Emp. Form.:
C42H56F2N8O6
Mol. Mass.:
806.9408
SMILES:
CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](O)C[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1[nH]c2cc(F)ccc2c1C[C@@H]1C[C@H](O)CN1C(=O)[C@H](CC)NC(=O)[C@H](C)NC |r|
Structure:
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