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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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| LRRAXLG | 3,4-dihydro-2,2,5,7,8-pentamethyl-2H-1-benzopyran-6-sulfonic acid |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01403 |
| Smiles | |
| Inchi Key | InChIKey=OLKNNPTUDQTKKR-UHFFFAOYSA-N |
| Molecular weight | 1428.71 |
| Molecular formula | C66H104N14O17S2 |
| Chemical name | Peptide information |
| Sequence (one letter) | LRRAXLG |
| Length | 7 |
| Peptide name | N/A |
| External ID | |
|---|---|
| CAS number | 723341-17-1 |
| Other information | |
|---|---|
| Application | Protein kinase A inhibition |
| Pharmacological class | anticancer |
| Conjugate type | sulfonamide |
| Linker | no |
| Small molecule | 3,4-dihydro-2,2,5,7,8-pentamethyl-2H-1-benzopyran-6-sulfonic acid |
| Small molecule CAS | 745073-71-6 |
| Structure method | 1H NMR, HPLC |
| Calculated properties | |
|---|---|
| LogP | 2.41499 |
| Rotatable bonds | 33 |
| H bond donor | 15 |
| H bond acceptor | 20 |
| Polar surface area (PSA) | 461.89000 |
| 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 | ||
