Use the buttons at the bottom of Jsmol viewer to see different representations, ON/OFF Hydrogens, and ON/OFF rotation.
3D model is for representation purpose only.
.
.
Schematic representation of peptide, linker and drug in the peptide-drug conjugates
 |
 |
 |
|
 |
|---|---|---|---|---|
| AKLIALL | 2-chloro-1-(N-methylcarbamate)-benzenemethanol |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00423 |
| Smiles | |
| Inchi Key | InChIKey=UOBMCKVKIWVCKE-MXDODBPPSA-N |
| Molecular weight | 1094.64 |
| Molecular formula | C54H91ClN8O13 |
| Chemical name | Peptide information |
| Sequence (one letter) | AKLIALL |
| Length | 7 |
| Peptide name | modified ternatin |
| External ID | |
|---|---|
| CAS number | 1633693-75-0 |
| Other information | |
|---|---|
| Application | Synthesis, molecular probes |
| Additional function | Fat-accumulation inhibition |
| Pharmacological class | other |
| Conjugate type | carbamate |
| Linker | no |
| Small molecule | 2-chloro-1-(N-methylcarbamate)-benzenemethanol |
| Small molecule CAS | 2797-35-5 |
| Small molecule structure | |
| Calculated properties | |
|---|---|
| LogP | 5.54485 |
| Rotatable bonds | 32 |
| H bond donor | 5 |
| H bond acceptor | 11 |
| Polar surface area (PSA) | 264.84000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Design, synthesis, and evaluation of derivatives of the fat-accumulation inhibitor ternatin: toward ternatin molecular probes | 2014 | Kawazoe, Yoshinori; Tanaka, Yoko; Omura, Sachikazu; Uemura, Daisuke | Tetrahedron Letters | ||
