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Target
3C-like protease
Ligand
BDBM47863
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
6288±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:
BDBM47863
Synonyms:
2-(4-acetamido-N-[2-(1-benzotriazolyl)-1-oxoethyl]anilino)-N-(2-methylbutan-2-yl)-2-(1-methyl-2-pyrrolyl)acetamide | 2-(4-acetamido-N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2-methylbutan-2-yl)-2-(1-methylpyrrol-2-yl)acetamide | 2-(4-acetamido-N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-tert-amyl-2-(1-methylpyrrol-2-yl)acetamide | 2-[(4-acetamidophenyl)-[2-(benzotriazol-1-yl)ethanoyl]amino]-N-(2-methylbutan-2-yl)-2-(1-methylpyrrol-2-yl)ethanamide | MLS000717223 | SMR000278590 | cid_3198732
Type:
Small organic molecule
Emp. Form.:
C28H33N7O3
Mol. Mass.:
515.6067
SMILES:
CCC(C)(C)NC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(NC(C)=O)cc1)c1cccn1C
Structure:
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