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.
.
.
Schematic representation of peptide, linker and drug in the peptide-drug conjugates
 |
 |
 |
|
 |
|---|---|---|---|---|
| GGGR | 4-Carboxybenzenesulfonamide |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01600 |
| Smiles | |
| Molecular weight | 528.175 |
| Molecular formula | C19H28N8O8S |
| Chemical name | Peptide information |
| Sequence (one letter) | GGGR |
| Length | 4 |
| Peptide name | tetrapeptide |
| External ID | |
|---|---|
| CAS number | 176171-08-7 |
| Other information | |
|---|---|
| Application | Synthesis |
| Additional function | Using conjugates as probes for secondary binding sites in carbonic anhydrase |
| Pharmacological class | other |
| Conjugate type | amide |
| Linker | no |
| Small molecule | 4-Carboxybenzenesulfonamide |
| Small molecule CAS | 138-41-0 |
| Small molecule structure | |
| Structure method | NMR and HMRS |
| Calculated properties | |
|---|---|
| LogP | -6.17121 |
| Rotatable bonds | 14 |
| H bond donor | 9 |
| H bond acceptor | 11 |
| Polar surface area (PSA) | 275.76000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Benzenesulfonamide-peptide conjugates as probes for secondary binding sites near the active site of carbonic anhydrase | 1996 | Sigal, George B.; Whitesides, George M. | Bioorganic & Medicinal Chemistry Letters | ||
