CHEMBL440257
| SMILES | NCCCC[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)NC1CSc2ccccc2N(CC(=O)N[C@H](CCCN=C(N)N)C(=O)O)C1=O |
| InChIKey | REHYBLOKSSFQFM-VLNJVXJUSA-N |
Chemical properties
| Hydrogen bond acceptors | 18 |
| Hydrogen bond donors | 15 |
| Rotatable bonds | 31 |
| Molecular weight (Da) | 1199.5 |
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 | 10.15 | 10.15 | 10.15 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |