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
 |
 |
 |
|
 |
|---|---|---|---|---|
| SRSELIVHQRLF | 3-amino-(3β,5β)-Cholan-24-oic aci methyl ester |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00249 |
| Smiles | |
| Inchi Key | InChIKey=OCYKHLZPIYKYBX-GEXBLZLESA-N |
| Molecular weight | 1937.17 |
| Molecular formula | C93H152N26O19 |
| Chemical name | Peptide information |
| Sequence (one letter) | SRSELIVHQRLF |
| Length | 12 |
| Peptide name | antimicrobial peptide Cm-p5 |
| External ID | |
|---|---|
| CAS number | 1781222-41-0 |
| Other information | |
|---|---|
| Application | Synthesis, incorporation of complex N-substituents at both termini and at internal positions |
| Additional function | Modifications of biologically relevant peptides: fluorescent labeling, PEGylation, glycosylation, etc. |
| Pharmacological class | other |
| Conjugate type | amide |
| Linker | no |
| Small molecule | 3-amino-(3β,5β)-Cholan-24-oic aci methyl ester |
| Small molecule CAS | 106697-50-1 |
| Small molecule structure | |
| Calculated properties | |
|---|---|
| LogP | -3.99509 |
| Rotatable bonds | 59 |
| H bond donor | 22 |
| H bond acceptor | 29 |
| Polar surface area (PSA) | 723.45000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Aminocatalysis-Mediated on-Resin Ugi Reactions: Application in the Solid-Phase Synthesis of N-Substituted and Tetrazolo Lipopeptides and Peptidosteroids | 2015 | Morales, Fidel E.; Garay, Hilda E.; Munoz, Daniela F.; Augusto, Yarelys E.; Otero-Gonzalez, Anselmo J.; Reyes Acosta, Osvaldo; Rivera, Daniel G. | Organic Letters | ||
