Results for protein-protein interaction targets from 2P2PI with known druggability [10], [12].
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These targets have protein-protein co-crystal structures shown in the top half of the table, and corresponding protein-ligand co-crystal structures are shown in the bottom half. Values of Dscore+ and volumes falling within drug-like criteria are highlighted in bold. ‘cmpd’ indicates a small molecule compound, and volumes are in units of Å3. “*” indicates ‘not applicable’ because the site's initial Dscore+ values did not meet the cut-off for flexibility modeling; however, some values were subsequently calculated for validation purposes, and are discussed in the text. We define known druggability based on the success in finding drug-like, clinical small molecules where there are efforts from multiple independent groups.
创建时间:
2014-07-31



