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Target
3C-like protease
Ligand
BDBM47922
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
11192±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:
BDBM47922
Synonyms:
2-(4-acetamido-N-[2-(1-benzotriazolyl)-1-oxoethyl]anilino)-2-(3-methoxyphenyl)-N-(2-oxolanylmethyl)acetamide | 2-(4-acetamido-N-[2-(benzotriazol-1-yl)acetyl]anilino)-2-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide | 2-(4-acetamido-N-[2-(benzotriazol-1-yl)acetyl]anilino)-2-(3-methoxyphenyl)-N-(tetrahydrofurfuryl)acetamide | 2-[(4-Acetylamino-phenyl)-(2-benzotriazol-1-yl-acetyl)-amino]-2-(3-methoxy-phenyl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide | 2-[(4-acetamidophenyl)-[2-(benzotriazol-1-yl)ethanoyl]amino]-2-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamide | MLS001220026 | SMR000600232 | cid_3191728
Type:
Small organic molecule
Emp. Form.:
C30H32N6O5
Mol. Mass.:
556.6123
SMILES:
COc1cccc(c1)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(NC(C)=O)cc1)C(=O)NCC1CCCO1
Structure:
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