CHEMBL2028979
| SMILES | NC(N)=NCCC[C@H](NC(=O)[C@@H]1CC2CCCCC2N1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)CCCN=C(N)N)C(=O)O |
| InChIKey | DHNTXOZYACLFNG-ZGAVVQICSA-N |
Chemical properties
| Hydrogen bond acceptors | 15 |
| Hydrogen bond donors | 15 |
| Rotatable bonds | 33 |
| Molecular weight (Da) | 1269.7 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| B2 | BKRB2 | Guinea pig | Bradykinin | A | pKi | 9.12 | 9.12 | 9.12 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |