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Target
3C-like protease
Ligand
BDBM47900
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
9879±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:
BDBM47900
Synonyms:
1-(5-bromo-2-fluorophenyl)-2-(chloroacetyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline | 1-[1-(5-bromanyl-2-fluoranyl-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-chloranyl-ethanone | 1-[1-(5-bromo-2-fluoro-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-chloro-ethanone | 1-[1-(5-bromo-2-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-chloroethanone | MLS001198393 | SMR000559208 | cid_3912197
Type:
Small organic molecule
Emp. Form.:
C19H18BrClFNO3
Mol. Mass.:
442.707
SMILES:
COc1cc2CCN(C(c3cc(Br)ccc3F)c2cc1OC)C(=O)CCl
Structure:
Search PDB for entries with ligand similarity: