CHEMBL3142597
| SMILES | NC(N)=NCCC[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N1CCc2ccccc2[C@@H]1C(=O)N1C2CCCCC2C[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O |
| InChIKey | PIJUJOFLDOZEOK-WHGAKNBVSA-N |
Chemical properties
| Hydrogen bond acceptors | 12 |
| Hydrogen bond donors | 13 |
| Rotatable bonds | 35 |
| Molecular weight (Da) | 1094.7 |
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 | Human | Bradykinin | A | pKi | 7.36 | 7.36 | 7.36 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |