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Target
3C-like protease
Ligand
BDBM47845
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
7755±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:
BDBM47845
Synonyms:
2-[(2-Benzotriazol-1-yl-acetyl)-furan-2-ylmethyl-amino]-N-furan-2-ylmethyl-2-(3-methoxy-phenyl)-acetamide | 2-[2-(benzotriazol-1-yl)ethanoyl-(furan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)ethanamide | 2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(2-furanylmethyl)amino]-N-(2-furanylmethyl)-2-(3-methoxyphenyl)acetamide | 2-[[2-(benzotriazol-1-yl)acetyl]-(2-furfuryl)amino]-N-(2-furfuryl)-2-(3-methoxyphenyl)acetamide | 2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide | MLS000527188 | SMR000117662 | cid_3206295
Type:
Small organic molecule
Emp. Form.:
C27H25N5O5
Mol. Mass.:
499.5179
SMILES:
COc1cccc(c1)C(N(Cc1ccco1)C(=O)Cn1nnc2ccccc12)C(=O)NCc1ccco1
Structure:
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