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
 |
 |
 |
|
 |
|---|---|---|---|---|
| EIYGEFKK | 4-amino-α-methyl-1H-pyrazolo[3,4-d]pyrimidine-1-acetic acid |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01125 |
| Smiles | |
| Molecular weight | 1263.6 |
| Molecular formula | C61H81N15O15 |
| Chemical name | Peptide information |
| Sequence (one letter) | EIYGEFKK |
| Length | 8 |
| Peptide name | N/A |
| External ID | |
|---|---|
| CAS number | 957047-31-3 |
| Other information | |
|---|---|
| Application | Antitiumor therapy, kinase inhibition |
| Additional function | improved Src kinase inhibition |
| Pharmacological class | anticancer |
| Conjugate type | amide |
| Linker | no |
| Small molecule | 4-amino-α-methyl-1H-pyrazolo[3,4-d]pyrimidine-1-acetic acid |
| Small molecule CAS | 957047-66-4 |
| Structure method | 1H and 13C NMR, HPLC |
| NMR solvent | CDCl3 |
| Calculated properties | |
|---|---|
| LogP | -5.49881 |
| Rotatable bonds | 39 |
| H bond donor | 15 |
| H bond acceptor | 21 |
| Polar surface area (PSA) | 486.59000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Synthesis and evaluation of 3-phenylpyrazolo[3,4-d]pyrimidine-peptide conjugates as Src kinase inhibitors | 2007 | Kumar, Anil; Wang, Yuehao; Lin, Xiaofeng; Sun, Gongqin; Parang, Keykavous | ChemMedChem | ||
