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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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| LFMSCRTWKHYEQ | triazole | N-methyl-4-(2-propyn-1-yloxy)-benzenamine |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00065 |
| Smiles | |
| Inchi Key | InChIKey=VSNBAIKRSGLXLM-BGYCLUCSSA-N |
| Molecular weight | 1978.85 |
| Molecular formula | C90H126N22O23S3 |
| Chemical name | Peptide information |
| Sequence (one letter) | LFMSCRTWKHYEQ |
| Length | 13 |
| Peptide name | model peptide |
| External ID | |
|---|---|
| CAS number | 2247055-85-0 |
| Other information | |
|---|---|
| Application | Synthesis, cysteine-Selective conjugation to prepare antibody-drog conjugates |
| Additional function | Posible applications as various imaging and therapeutic conjugates |
| Pharmacological class | anticancer |
| Conjugate type | sulfide |
| Linker | N/A |
| Linker Type | triazole |
| Small molecule | N-methyl-4-(2-propyn-1-yloxy)-benzenamine |
| Small molecule CAS | 1178112-51-0 |
| Small molecule structure | |
| Calculated properties | |
|---|---|
| LogP | -8.71848 |
| Rotatable bonds | 62 |
| H bond donor | 24 |
| H bond acceptor | 29 |
| Polar surface area (PSA) | 735.10000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
N-Methyl-N-phenylvinylsulfonamides for Cysteine-Selective Conjugation | 2018 | Huang, Rong; Li, Zhihong; Sheng, Yao; Yu, Jianghui; Wu, Yue; Zhan, Yuexiong; Chen, Hongli; Jiang, Biao | Organic Letters | ||
