PDB ID: 3V3M
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Code | Name | Style | Show | Link | |
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0EN | N-[(1r)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide | PoSSuM | |||
DMS | Dimethyl sulfoxide | PoSSuM |
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Download interaction data: 3V3M
Structure summary
Code : | 3V3M PDBj RCSB PDB PDBe | ||||||||||||
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Header : | HYDROLASE/HYDROLASE INHIBITOR | ||||||||||||
Title : | Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV) 3CL Protease in Complex with N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide inhibitor. | ||||||||||||
Release Data : | 2013-01-16 | ||||||||||||
Compound : |
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Authors : | Jacobs, J., Grum-Tokars, V., Zhou, Y., Turlington, M., Saldanha, S.A., Chase, P., Eggler, A., Dawson, E.S., Baez-Santos, Y.M., Tomar, S., Mielech, A.M., Baker, S.C., Lindsley, C.W., Hodder, P., Mesecar, A., Stauffer, S.R. | ||||||||||||
Keywords : | Chymotrypsin like fold, viral polypeptide protease, HYDROLASE, HYDROLASE-HYDROLASE INHIBITOR complex | ||||||||||||
Exp. method : | X-RAY DIFFRACTION ( 1.96 Å ) | ||||||||||||
Citation : |
Discovery, Synthesis, And Structure-Based Optimization of a Series of N-(tert-Butyl)-2-(N-arylamido)-2-(pyridin-3-yl) Acetamides (ML188) as Potent Noncovalent Small Molecule Inhibitors of the Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV) 3CL Protease.
Jacobs, J.,Grum-Tokars, V.,Zhou, Y.
et al.
PubMed: 23231439 |
Reaction
Chain : | A | ||||||||||||||||
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UniProt : | P0C6U8 (R1A_SARS) | ||||||||||||||||
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