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Target
3C-like protease
Ligand
BDBM47919
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
2227±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:
BDBM47919
Synonyms:
Furan-2-carboxylic acid (4-sec-butyl-phenyl)-(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-amide | MLS001222477 | N-(4-butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]furan-2-carboxamide | N-(4-butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-(3-pyridinyl)ethyl]-2-furancarboxamide | N-(4-butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide | N-[2-(cyclopentylamino)-2-keto-1-(3-pyridyl)ethyl]-N-(4-sec-butylphenyl)-2-furamide | SMR000600355 | acs.jmedchem.1c00409_ST.300 | cid_3196508 | med.21724, Compound 122
Type:
Small organic molecule
Emp. Form.:
C27H31N3O3
Mol. Mass.:
445.5533
SMILES:
CCC(C)c1ccc(cc1)N(C(C(=O)NC1CCCC1)c1cccnc1)C(=O)c1ccco1
Structure:
Search PDB for entries with ligand similarity: