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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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| WR | 3,4-dihydro-2,2,5,7,8-pentamethyl-2H-1-benzopyran-6-sulfonic acid |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01319 |
| Smiles | |
| Inchi Key | InChIKey=RDPALUWOIJLYQU-UHFFFAOYSA-N |
| Molecular weight | 1081.6 |
| Molecular formula | C54H79N15O7S |
| Chemical name | Peptide information |
| Sequence (one letter) | WR |
| Length | 2 |
| Peptide name | dipeptide |
| External ID | |
|---|---|
| CAS number | 862124-44-5 |
| Other information | |
|---|---|
| Application | Antibiotic, antiparasitic (trypanosomas) |
| Pharmacological class | antimicrobial, antiprotozoal |
| 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 and 13C NMR, RP-HPLC, MS |
| NMR solvent | CD3OD |
| Calculated properties | |
|---|---|
| LogP | 1.51447 |
| Rotatable bonds | 27 |
| H bond donor | 15 |
| H bond acceptor | 15 |
| Polar surface area (PSA) | 365.23000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Mechanism and structure-activity relationships of norspermidine-based peptidic inhibitors of trypanothione reductase | 2005 | Dixon, Mark J.; Maurer, Richard I.; Biggi, Cristina; Oyarzabal, Julen; Essex, Jonathan W.; Bradley, Mark | Bioorganic & Medicinal Chemistry | ||
