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Target
3C-like protease
Ligand
BDBM47875
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
11108±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:
BDBM47875
Synonyms:
1,5-Diisopropyl-3,7-bis-(2-nitro-benzoyl)-3,7-diaza-bicyclo[3.3.1]nonan-9-one | 1,5-diisopropyl-3,7-bis(2-nitrobenzoyl)-3,7-diazabicyclo[3.3.1]nonan-9-one | 3,7-bis(2-nitrobenzoyl)-1,5-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-one | 3,7-bis[(2-nitrophenyl)-oxomethyl]-1,5-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-one | 3,7-bis[(2-nitrophenyl)carbonyl]-1,5-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-one | MLS000767535 | SMR000429865 | cid_1420934
Type:
Small organic molecule
Emp. Form.:
C27H30N4O7
Mol. Mass.:
522.5497
SMILES:
CC(C)C12CN(CC(CN(C1)C(=O)c1ccccc1[N+]([O-])=O)(C(C)C)C2=O)C(=O)c1ccccc1[N+]([O-])=O
Structure:
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