Reaction Details Report a problem with these data
Target
Nonstructural protein 3
Ligand
BDBM81993
Substrate
n/a
Meas. Tech.
ChEMBL_1986301 (CHEMBL4619848)
EC50
13000±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:
BDBM81993
Synonyms:
BROMOCRIPTINE | Bromocriptine+ (GTP+) | Bromocriptine+ (GTP-)
Type:
n/a
Emp. Form.:
C32H40BrN5O5
Mol. Mass.:
654.594
SMILES:
CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C |r,c:28|
Structure:
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