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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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| XNNYTSLIHSLIEESQNQQEKNEQELL | 3-aminopropionic acid | 2-(carboxymethoxy)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-benzoic acid |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00452 |
| Smiles | |
| Inchi Key | InChIKey=VXECCEDEFONYRG-XDVZRROQSA-N |
| Molecular weight | 3441.63 |
| Molecular formula | C149H228N40O54 |
| Chemical name | Peptide information |
| Sequence (one letter) | XNNYTSLIHSLIEESQNQQEKNEQELL |
| Length | 27 |
| Peptide name | peptide 26 |
| External ID | |
|---|---|
| CAS number | 1427469-82-6 |
| Other information | |
|---|---|
| Application | Antimicrobial, antiviral (HIV-1) |
| Additional function | Improve effect and stability |
| Pharmacological class | antimicrobial, antiviral |
| Conjugate type | amide |
| Linker | N/A |
| Linker Type | 3-aminopropionic acid |
| Small molecule | 2-(carboxymethoxy)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-benzoic acid |
| Small molecule CAS | 1427469-77-9 |
| Small molecule structure | |
| Structure method | DMSO-d6 |
| Calculated properties | |
|---|---|
| LogP | -24.33780 |
| Rotatable bonds | 119 |
| H bond donor | 49 |
| H bond acceptor | 56 |
| Polar surface area (PSA) | 1567.32000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Design, Synthesis, and Biological Evaluation of Highly Potent Small Molecule-Peptide Conjugates as New HIV-1 Fusion Inhibitors | 2013 | Wang, Chao; Shi, Weiguo; Cai, Lifeng; Lu, Lu; Wang, Qian; Zhang, Tianhong; Li, Jinglai; Zhang, Zhenqing; Wang, Kun; Xu, Liang; Jiang, Xifeng; Jiang, Shibo; Liu, Keliang | Journal of Medicinal Chemistry | ||
