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Title | Efficient Screening of Target-Specific Selected Compounds in Mixtures by 19 F NMR Binding Assay with Predicted 19 F NMR Chemical Shifts. |
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Journal, issue, pages | Chemmedchem, Vol. 17, Page e202200163-e202200163, Year 2022 |
Publish date | Feb 25, 2022 (structure data deposition date) |
![]() | Vulpetti, A. / Lingel, A. / Dalvit, C. / Schiering, N. / Oberer, L. / Henry, C. / Lu, Y. |
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Methods | X-ray diffraction |
Resolution | 1.09 - 1.35 Å |
Structure data | ![]() PDB-7z25: ![]() PDB-7z2i: |
Chemicals | ![]() ChemComp-DMS: ![]() ChemComp-CA: ![]() ChemComp-IAF: ![]() ChemComp-HOH: ![]() ChemComp-I9O: |
Source |
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![]() | HYDROLASE / trypsin / fragment complex / fluorine containing small molecule inhibitor |