 Use the buttons at the bottom of Jsmol viewer to see different representations, ON/OFF Hydrogens, and ON/OFF rotation.
                        Use the buttons at the bottom of Jsmol viewer to see different representations, ON/OFF Hydrogens, and ON/OFF rotation.
                      
                      3D model is for representation purpose only.
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 Schematic representation of peptide, linker and drug in the peptide-drug conjugates
                        Schematic representation of peptide, linker and drug in the peptide-drug conjugates
                      
                      |  |  |  |  |  | 
|---|---|---|---|---|
| NFGAILSS | 4-(Chlorocarbonyl)-1,2-benzenedicarboxylic acid | 
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00145 | 
| Smiles | |
| Inchi Key | InChIKey=XWXXTBYZVFQVPV-CBTREZALSA-N | 
| Molecular weight | 999.419 | 
| Molecular formula | C45H61N9O17 | 
| Chemical name | Peptide information | 
| Sequence (one letter) | NFGAILSS | 
| Length | 8 | 
| Peptide name | amyloid disrupting peptide | 
| External ID | |
|---|---|
| CAS number | 2130904-40-2 | 
| Other information | |
|---|---|
| Application | Type 2 diabetes therapy, amylin aggregation inhibition | 
| Additional function | Self-assembly | 
| Pharmacological class | neurological | 
| Conjugate type | amide | 
| Linker | no | 
| Small molecule | 4-(Chlorocarbonyl)-1,2-benzenedicarboxylic acid | 
| Small molecule CAS | 53659-79-3 | 
| Small molecule structure |  | 
| Calculated properties | |
|---|---|
| LogP | -3.21500 | 
| Rotatable bonds | 29 | 
| H bond donor | 14 | 
| H bond acceptor | 17 | 
| Polar surface area (PSA) | 428.25000 | 
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI | 
| Peptide Conjugates of Benzene Carboxylic Acids as Agonists and Antagonists of Amylin Aggregation | 2017 | Profit, Adam A.; Vedad, Jayson; Desamero, Ruel Z. B. | Bioconjugate Chemistry | ||