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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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|---|---|---|---|---|
| XHWX | Neomycin B derivative |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00902 |
| Smiles | |
| Inchi Key | InChIKey=AILVAWRMENLJPU-TUJJFJNQSA-N |
| Molecular weight | 1949.94 |
| Molecular formula | C96H135N13O30 |
| Chemical name | Peptide information |
| Sequence (one letter) | XHWX |
| Length | 4 |
| Peptide name | dipeptide |
| External ID | |
|---|---|
| CAS number | 1232235-89-0 |
| Other information | |
|---|---|
| Application | Antimicrobial therapy, antibacterial (P. aeruginosa) |
| Additional function | Overcome drug resistance |
| Conjugate type | triazole |
| Linker | no |
| Small molecule | Neomycin B derivative |
| Small molecule CAS | 1000022-45-6 |
| Small molecule structure | |
| Calculated properties | |
|---|---|
| LogP | 7.18727 |
| Rotatable bonds | 43 |
| H bond donor | 15 |
| H bond acceptor | 24 |
| Polar surface area (PSA) | 565.21000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Evaluation of amphiphilic aminoglycoside-peptide triazole conjugates as antibacterial agents | 2010 | Bera, Smritilekha; Zhanel, George G.; Schweizer, Frank | Bioorganic & Medicinal Chemistry | ||
