Ki Summary

Reaction Details

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Target

3C-like protease

Ligand

BDBM47918

Substrate/Competitor

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

5395±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]

More Info.:

Get all data from this article, Solution Info, Assay Method

3C-like protease

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:

SGFKKLVSPSSAVEKCIVSVSYRGNNLNGLWLGDSIYCPRHVLGKFSGDQWGDVLNLANN
HEFEVVTQNGVTLNVVSRRLKGAVLILQTAVANAETPKYKFVKANCGDSFTIACSYGGTV
IGLYPVTMRSNGTIRASFLAGACGSVGFNIEKGVVNFFYMHHLELPNALHTGTDLMGEFY
GGYVDEEVAQRVPPDNLVTNNIVAWLYAAIISVKESSFSQPKWLESTTVSIEDYNRWASD
NGFTPFSTSTAITKLSAITGVDVCKLLRTIMVKSAQWGSDPILGQYNFEDELTPESVFNQ
VGGVRLQ

BDBM47918

n/a

Name

BDBM47918

Synonyms:

2-furancarboxylic acid [4-chloro-2-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl] ester | Furan-2-carboxylic acid 4-chloro-2-(5-methyl-1,3-dioxo-octahydro-isoindol-2-yl)-phenyl ester | MLS001224091 | SMR000612554 | [4-chloranyl-2-[5-methyl-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl] furan-2-carboxylate | [4-chloro-2-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl] furan-2-carboxylate | cid_2939288 | furan-2-carboxylic acid [4-chloro-2-(1,3-diketo-5-methyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl] ester

Type

Small organic molecule

Emp. Form.

C20H18ClNO5

Mol. Mass.

387.814

SMILES

CC1CCc2c(O)n(c(O)c2C1)-c1cc(Cl)ccc1OC(=O)c1ccco1 |(3.08,4.07,;4.41,3.3,;4.41,1.76,;5.75,.99,;7.08,1.76,;8.54,1.3,;9.02,-.17,;9.44,2.53,;8.54,3.77,;9.02,5.24,;7.08,3.3,;5.75,4.07,;10.98,2.53,;11.75,3.87,;13.29,3.87,;14.06,5.2,;14.06,2.53,;13.29,1.2,;11.75,1.2,;10.98,-.13,;11.75,-1.47,;13.29,-1.47,;10.98,-2.8,;11.6,-4.21,;10.46,-5.24,;9.13,-4.47,;9.45,-2.96,)|

Structure