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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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|---|---|---|---|---|
| LWVLWRR | carbamate | Cephalothin |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00636 |
| Smiles | |
| Inchi Key | InChIKey=USJHTVPCDJDOTQ-BBHWXVDRSA-N |
| Molecular weight | 1643.77 |
| Molecular formula | C75H105N25O14S2 |
| Chemical name | Peptide information |
| Sequence (one letter) | LWVLWRR |
| Length | 7 |
| Peptide name | antibacterial peptide |
| External ID | |
|---|---|
| CAS number | 1416725-90-0 |
| Other information | |
|---|---|
| Application | Antimicrobial therapy, antibacterial |
| Additional function | Targeting beta lactamase, overcome drug resistance |
| Conjugate type | triazole |
| Linker | N/A |
| Linker Type | carbamate |
| Small molecule | Cephalothin |
| Small molecule CAS | 153-61-7 |
| Small molecule structure | |
| Structure method | 1H-NMR |
| NMR solvent | DMSO-d6 |
| Calculated properties | |
|---|---|
| LogP | -2.92953 |
| Rotatable bonds | 46 |
| H bond donor | 19 |
| H bond acceptor | 24 |
| Polar surface area (PSA) | 627.32000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
β-Lactam-host defence peptide conjugates as antibioticprodrug candidates targeting resistant bacteria | 2012 | Desgranges, Stephane; Ruddle, Carol C.; Burke, Liam P.; McFadden, Tara M.; O'Brien, John E.; Fitzgerald-Hughes, Deirdre; Humphreys, Hilary; Smyth, Timothy P.; Devocelle, Marc | RSC Advances | ||
