CHEMBL415032
| SMILES | NC(N)=NCCC[C@H](NC(=O)CN1CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cccs2)NC(=O)CNC(=O)[C@@H]2CC(O)CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)CCCN=C(N)N)C1=O)C(=O)O |
| InChIKey | BBTJSBHPKQVVCA-BULQHPIASA-N |
Chemical properties
| Hydrogen bond acceptors | 17 |
| Hydrogen bond donors | 16 |
| Rotatable bonds | 31 |
| Molecular weight (Da) | 1161.6 |
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 | 6.28 | 6.28 | 6.28 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |