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
 |
 |
 |
|
 |
|---|---|---|---|---|
| LAILA | 3H-Indolium, 5-carboxy-2-[7-[1,3-dihydro-3,3-dimethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene]-1,3,5-heptatrien-1-yl]-3,3-dimethyl-1-(4-sulfobutyl)-, inner salt |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01552 |
| Smiles | |
| Molecular weight | 1178.59 |
| Molecular formula | C60H88N7O13S2 |
| Chemical name | Peptide information |
| Sequence (one letter) | LAILA |
| Length | 5 |
| Peptide name | model peptide |
| External ID | |
|---|---|
| CAS number | 273383-46-3 |
| Other information | |
|---|---|
| Application | Synthesis and analytics |
| Additional function | Potential fluorescent contrast agents targeted to tumor-specific receptors |
| Pharmacological class | other |
| Conjugate type | amide |
| Linker | no |
| Small molecule | 3H-Indolium, 5-carboxy-2-[7-[1,3-dihydro-3,3-dimethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene]-1,3,5-heptatrien-1-yl]-3,3-dimethyl-1-(4-sulfobutyl)-, inner salt |
| Small molecule CAS | 208243-29-2 |
| Structure method | RP-HPLC, MALDI-TOF MS |
| Calculated properties | |
|---|---|
| LogP | 4.92993 |
| Rotatable bonds | 31 |
| H bond donor | 8 |
| H bond acceptor | 14 |
| Polar surface area (PSA) | 297.79000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Highly parallel nano-synthesis of cleavable peptide-dye conjugates on cellulose membranes | 2000 | Licha, Kai; Bhargava, Sarah; Rheinlander, Christiane; Becker, Andreas; Schneider-Mergener, Jens; Volkmer-Engert, Rudolf | Tetrahedron Letters | ||
