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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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| FYPAAKG | 1H-Imidazole-2-carboxamide, N-[1-(3-aminopropyl)-5-[[[5-[[[4-[[2-[[[5-[[[5-[[[5-[[[3-[[3-(dimethylamino)propyl]amino]-3-oxopropyl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]amino]carbonyl]-1-methyl-1H-imidazol-4-yl]amino]-4-oxobutyl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]amino]carbonyl]-1H-pyrrol-3-yl]-1-methyl-4-[[(1-methyl-1H-imidazol-2-yl)carbonyl]amino]- |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01419 |
| Smiles | |
| Molecular weight | 2041.99 |
| Molecular formula | C98H127N31O19 |
| Chemical name | Peptide information |
| Sequence (one letter) | FYPAAKG |
| Length | 7 |
| Peptide name | N/A |
| External ID | |
|---|---|
| CAS number | 1609274-11-4 |
| Other information | |
|---|---|
| Application | Synthesis |
| Additional function | DNA binding |
| Pharmacological class | other |
| Conjugate type | amide |
| Linker | no |
| Small molecule | 1H-Imidazole-2-carboxamide, N-[1-(3-aminopropyl)-5-[[[5-[[[4-[[2-[[[5-[[[5-[[[5-[[[3-[[3-(dimethylamino)propyl]amino]-3-oxopropyl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]amino]carbonyl]-1-methyl-1H-imidazol-4-yl]amino]-4-oxobutyl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]amino]carbonyl]-1H-pyrrol-3-yl]-1-methyl-4-[[(1-methyl-1H-imidazol-2-yl)carbonyl]amino]- |
| Small molecule CAS | 933050-96-5 |
| Structure method | X-ray crystallography |
| Calculated properties | |
|---|---|
| LogP | -2.94758 |
| Rotatable bonds | 51 |
| H bond donor | 19 |
| H bond acceptor | 24 |
| Polar surface area (PSA) | 642.61000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Toward Artificial Developmental Regulators | 2003 | Arndt, Hans-Dieter; Hauschild, Karl E.; Sullivan, David P.; Lake, Kara; Dervan, Peter B.; Ansari, Aseem Z. | Journal of the American Chemical Society | ||
