The details of FoldDB ID: fd1139 |
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3D model is for representation purpose only. To access the experimental 3D structure kindly go to the browse structure tab and look for PDB or CCDC id.
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Identification | |
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FoldDB ID | fd1139 |
Smiles | |
Inchi Key | NTFIELARXWXYQS-ZVICAWTASA-N |
Molecular weight | 1761.1 |
Molecular formula | C81H133N25O19 |
Source | synthetic construct |
External ID | |
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Reaxys ID | 10238902 |
Other information | |
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Application | Antagonists of BH3 Domain/Bcl-xLÂ Recognition |
Foldamer type | α/β Peptide |
Calculated properties | |
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LogP | -1.97900 |
H Bond Donor | 26 |
H Bond Acceptor | 44 |
Polar Surface Area (PSA) | 721.83000 |
Activity |
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Activity ID | Assay name | Cell line | Target Protein | Organism | Assay Category | Value | Unit | Type | Measurement object |
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fdact0769 | Protein binding Bioassay | In Vitro (Efficacy) | 0.0007 | µM | Ki | ||||
fdact0770 | Protein binding Bioassay | In Vitro (Efficacy) | 0.029 | µM | IC50 |
Citations | |||||
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ID | Title | Year | Authors | Journal | DOI |
Chimeric (α/β + α)-Peptide Ligands for the BH3-Recognition Cleft of Bcl-xL:  Critical Role of the Molecular Scaffold in Protein Surface Recognition | 2005 | Sadowsky, Jack D., Schmitt, Margaret A., Lee, Hee-Seung., Umezawa, Naoki., Wang, Shaomeng., Tomita, York., Gellman, Samuel H. | Journal of the American Chemical Society |