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Target
3C-like protease
Ligand
BDBM47855
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
8939±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:
BDBM47855
Synonyms:
2-furancarboxylic acid [4-bromo-2-[(E)-3-(2-methoxyphenyl)-1-oxoprop-2-enyl]phenyl] ester | 4-bromo-2-[3-(2-methoxyphenyl)acryloyl]phenyl 2-furoate | MLS000575355 | SMR000196589 | [4-bromanyl-2-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] furan-2-carboxylate | [4-bromo-2-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] furan-2-carboxylate | cid_5734490 | furan-2-carboxylic acid [4-bromo-2-[(E)-3-(2-methoxyphenyl)acryloyl]phenyl] ester
Type:
Small organic molecule
Emp. Form.:
C21H15BrO5
Mol. Mass.:
427.245
SMILES:
COc1ccccc1\C=C\C(=O)c1cc(Br)ccc1OC(=O)c1ccco1
Structure:
Search PDB for entries with ligand similarity: