The details of FoldDB ID: fd1140 |
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| Identification | |
|---|---|
| FoldDB ID | fd1140 |
| Smiles | |
| Inchi Key | QGNNJSKMELCBCI-XRGMDFHNSA-N |
| Molecular weight | 1761.1 |
| Molecular formula | C81H133N25O19 |
| Source | synthetic construct |
| External ID | |
|---|---|
| Reaxys ID | 10238920 |
| Other information | |
|---|---|
| Application | Antagonists of BH3 Domain/Bcl-xLÂ Recognition |
| Foldamer type | α/β Peptide |
| Calculated properties | |
|---|---|
| LogP | -1.91800 |
| 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 |
|---|---|---|---|---|---|---|---|---|---|
| fdact0771 | Protein binding Bioassay | In Vitro (Efficacy) | NA | qualitative | |||||
| fdact0772 | Protein binding Bioassay | Bcl-2-like protein 1; Serum albumin [bovine] | bovine | In Vitro (Efficacy) | 14 | nM | Kd (dissociation constant) | ||
| fdact0773 | Protein binding Bioassay | BCL-Xl | In Vitro (Efficacy) | 0.0019 | µM | Ki | |||
| fdact0774 | Protein binding Bioassay | BCL-Xl | In Vitro (Efficacy) | 0.059 | µM | IC50 | |||
| fdact0775 | Protein binding Bioassay | Bcl-2-like protein 1; Serum albumin [bovine] | bovine | In Vitro (Efficacy) |
| qualitative |
| Citations | |||||
|---|---|---|---|---|---|
| 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 | ||
