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Target
3C-like protease
Ligand
BDBM47927
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
20126±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:
BDBM47927
Synonyms:
2-(3-amino-3-oxopropyl)-3-(4-methylbenzoyl)-6-(trifluoromethyl)-2H-indazole 1-oxide | 3-[1-oxido-3-p-toluoyl-6-(trifluoromethyl)indazol-1-ium-2-yl]propionamide | 3-[3-(4-methylbenzoyl)-1-oxido-6-(trifluoromethyl)indazol-1-ium-2-yl]propanamide | 3-[3-(4-methylphenyl)carbonyl-1-oxidanidyl-6-(trifluoromethyl)indazol-1-ium-2-yl]propanamide | 3-[3-[(4-methylphenyl)-oxomethyl]-1-oxido-6-(trifluoromethyl)-2-indazol-1-iumyl]propanamide | MLS001097234 | SMR000718362 | cid_24817263
Type:
Small organic molecule
Emp. Form.:
C19H16F3N3O3
Mol. Mass.:
391.3438
SMILES:
Cc1ccc(cc1)C(=O)c1n(CCC(N)=O)[n+]([O-])c2cc(ccc12)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: