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Target
3C-like protease
Ligand
BDBM47851
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
2904±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:
BDBM47851
Synonyms:
2-(N-[2-(1-benzotriazolyl)-1-oxoethyl]-2,4,6-trimethylanilino)-N-tert-butyl-2-(3-thiophenyl)acetamide | 2-(N-[2-(benzotriazol-1-yl)acetyl]-2,4,6-trimethyl-anilino)-N-tert-butyl-2-(3-thienyl)acetamide | 2-(N-[2-(benzotriazol-1-yl)acetyl]-2,4,6-trimethylanilino)-N-tert-butyl-2-thiophen-3-ylacetamide | 2-[(2-Benzotriazol-1-yl-acetyl)-(2,4,6-trimethyl-phenyl)-amino]-N-tert-butyl-2-thiophen-3-yl-acetamide | 2-[2-(benzotriazol-1-yl)ethanoyl-(2,4,6-trimethylphenyl)amino]-N-tert-butyl-2-thiophen-3-yl-ethanamide | MLS000550771 | SMR000173044 | cid_3197965
Type:
Small organic molecule
Emp. Form.:
C27H31N5O2S
Mol. Mass.:
489.632
SMILES:
Cc1cc(C)c(N(C(C(=O)NC(C)(C)C)c2ccsc2)C(=O)Cn2nnc3ccccc23)c(C)c1
Structure:
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