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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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|---|---|---|---|---|
| LRRAXLG | acetic acid | Adenosine 5′-(trihydrogen diphosphate), P′-anhydride with phosphorothioic acid |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01401 |
| Smiles | |
| Inchi Key | InChIKey=GWZZEXDZWHZOKW-UHFFFAOYSA-N |
| Molecular weight | 1375.47 |
| Molecular formula | C46H80N19O22P3S |
| Chemical name | Peptide information |
| Sequence (one letter) | LRRAXLG |
| Length | 7 |
| Peptide name | N/A |
| External ID | |
|---|---|
| CAS number | 723341-20-6 |
| Other information | |
|---|---|
| Application | Protein kinase A inhibition |
| Pharmacological class | anticancer |
| Conjugate type | amide |
| Linker | N/A |
| Linker Type | acetic acid |
| Small molecule | Adenosine 5′-(trihydrogen diphosphate), P′-anhydride with phosphorothioic acid |
| Small molecule CAS | 35094-46-3 |
| Structure method | 1H NMR, HPLC |
| Calculated properties | |
|---|---|
| LogP | -10.72667 |
| Rotatable bonds | 39 |
| H bond donor | 21 |
| H bond acceptor | 29 |
| Polar surface area (PSA) | 652.80000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Design, synthesis, and characterization of an ATP-peptide conjugate inhibitor of protein kinase A | 2004 | Hines, Aliya C.; Cole, Philip A. | Bioorganic & Medicinal Chemistry Letters | ||
