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Target
3C-like protease
Ligand
BDBM47852
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
10526±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:
BDBM47852
Synonyms:
2-[(2-Benzotriazol-1-yl-acetyl)-cyclopropyl-amino]-N-(4-fluoro-phenyl)-2-(3-methoxy-phenyl)-acetamide | 2-[2-(benzotriazol-1-yl)ethanoyl-cyclopropyl-amino]-N-(4-fluorophenyl)-2-(3-methoxyphenyl)ethanamide | 2-[[2-(1-benzotriazolyl)-1-oxoethyl]-cyclopropylamino]-N-(4-fluorophenyl)-2-(3-methoxyphenyl)acetamide | 2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropyl-amino]-N-(4-fluorophenyl)-2-(3-methoxyphenyl)acetamide | 2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-(4-fluorophenyl)-2-(3-methoxyphenyl)acetamide | MLS000555702 | SMR000173067 | cid_3202425
Type:
Small organic molecule
Emp. Form.:
C26H24FN5O3
Mol. Mass.:
473.4989
SMILES:
COc1cccc(c1)C(N(C1CC1)C(=O)Cn1nnc2ccccc12)C(=O)Nc1ccc(F)cc1
Structure:
Search PDB for entries with ligand similarity: