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Target
3C-like protease
Ligand
BDBM47912
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
>59640±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:
BDBM47912
Synonyms:
(2S)-2-[[5-[[4-[(tert-butoxycarbonylamino)methyl]benzyl]carbamoyl]-1H-imidazole-4-carbonyl]amino]-4-methyl-valeric acid tert-butyl ester | (2S)-4-methyl-2-[[[5-[[[4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]methylamino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]pentanoic acid tert-butyl ester | ILP-II-36 | MLS000834726 | SMR000641977 | cid_24789267 | tert-butyl (2S)-4-methyl-2-[[5-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyl]-1H-imidazol-4-yl]carbonylamino]pentanoate | tert-butyl (2S)-4-methyl-2-[[5-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyl]-1H-imidazole-4-carbonyl]amino]pentanoate
Type:
Small organic molecule
Emp. Form.:
C28H41N5O6
Mol. Mass.:
543.655
SMILES:
CC(C)C[C@H](NC(=O)c1nc[nH]c1C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OC(C)(C)C
Structure:
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