CHEMBL5268614
| SMILES | N=C(N)NCCCC(NC(=O)CN1CCCCC2(CCCN2C(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCNC(=N)N)C1=O)C(=O)O |
| InChIKey | VXZBURQRHWMDJA-IGACTBKVSA-N |
Chemical properties
| Hydrogen bond acceptors | 13 |
| Hydrogen bond donors | 13 |
| Rotatable bonds | 24 |
| Molecular weight (Da) | 1023.6 |
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 | Human | Bradykinin | A | pKi | 5.9 | 6.25 | 6.6 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |