Reaction Details Report a problem with these data
Target
3C-like protease
Ligand
BDBM47906
Substrate
n/a
Meas. Tech.
QFRET-based dose response biochemical high throughput screening assay to identify inhibitors of the SARS coronavirus 3C-like Protease (3CLPro)
IC50
12044±n/a nM
Citation
 PubChem, PC QFRET-based dose response biochemical high throughput screening assay to identify inhibitors of the SARS coronavirus 3C-like Protease (3CLPro) PubChem Bioassay (2009)[AID] 
Target
Name:
3C-like protease
Synonyms:
n/a
Type:
Enzyme Catalytic Domain
Mol. Mass.:
33462.05
Organism:
Avian infectious bronchitis virus
Description:
gi_73745819
Residue:
307
Sequence:
SGFKKLVSPSSAVEKCIVSVSYRGNNLNGLWLGDSIYCPRHVLGKFSGDQWGDVLNLANNHEFEVVTQNGVTLNVVSRRLKGAVLILQTAVANAETPKYKFVKANCGDSFTIACSYGGTVIGLYPVTMRSNGTIRASFLAGACGSVGFNIEKGVVNFFYMHHLELPNALHTGTDLMGEFYGGYVDEEVAQRVPPDNLVTNNIVAWLYAAIISVKESSFSQPKWLESTTVSIEDYNRWASDNGFTPFSTSTAITKLSAITGVDVCKLLRTIMVKSAQWGSDPILGQYNFEDELTPESVFNQVGGVRLQ
  
Inhibitor
Name:
BDBM47906
Synonyms:
MLS001174216 | N-[3-(dimethylsulfamoyl)phenyl]-2-(8-quinolinylthio)acetamide | N-[3-(dimethylsulfamoyl)phenyl]-2-(8-quinolylthio)acetamide | N-[3-(dimethylsulfamoyl)phenyl]-2-quinolin-8-ylsulfanyl-ethanamide | N-[3-(dimethylsulfamoyl)phenyl]-2-quinolin-8-ylsulfanylacetamide | SMR000590467 | cid_3475954
Type:
Small organic molecule
Emp. Form.:
C19H19N3O3S2
Mol. Mass.:
401.502
SMILES:
CN(C)S(=O)(=O)c1cccc(NC(=O)CSc2cccc3cccnc23)c1
Structure:
Search PDB for entries with ligand similarity: