CTOP
| SMILES | NCCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CSSC([C@H](NC(=O)[C@@H](NC1=O)[C@H](O)C)C(=O)N[C@H](C(=O)N)[C@H](O)C)(C)C)NC(=O)[C@@H](Cc1ccccc1)N)Cc1ccc(cc1)O)Cc1c[nH]c2c1cccc2 |
| InChIKey | PZWWYAHWHHNCHO-FGHAYEPSSA-N |
| Sequence | FCYWXTXT |
Chemical properties
| Hydrogen bond acceptors | 15 |
| Hydrogen bond donors | 14 |
| Rotatable bonds | 16 |
| Molecular weight (Da) | 1061.4 |
Drug properties
| Molecular type | Peptide |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| μ | OPRM | Human | Opioid | A | pKi | 9.7 | 9.7 | 9.7 | Guide to Pharmacology |
| δ | OPRD | Rat | Opioid | A | pKi | 6.59 | 6.59 | 6.59 | ChEMBL |
| μ | OPRM | Rat | Opioid | A | pKi | 8.89 | 8.89 | 8.89 | ChEMBL |
| κ | OPRK | Guinea pig | Opioid | A | pKi | 4.83 | 4.83 | 4.83 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| MC1 | MSHR | Human | Melanocortin | A | pEC50 | 7.0 | 7.0 | 7.0 | ChEMBL |
| δ | OPRD | Rat | Opioid | A | pIC50 | 4.87 | 4.87 | 4.87 | ChEMBL |
| μ | OPRM | Rat | Opioid | A | pIC50 | 8.55 | 8.55 | 8.55 | ChEMBL |
| δ | OPRD | Mouse | Opioid | A | pIC50 | 4.87 | 4.87 | 4.87 | ChEMBL |