CHEMBL437155
SMILES | C[C@@]12CCCC[C@]1(C)N(C(=O)[C@H]1Cc3ccccc3CN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1cccs1)NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccc(NC(N)C=N)cc1)[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C2 |
InChIKey | SCDVIEZBCXPKAU-JPRIPFPXSA-N |
Chemical properties
Hydrogen bond acceptors | 18 |
Hydrogen bond donors | 15 |
Rotatable bonds | 29 |
Molecular weight (Da) | 1350.7 |
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 | pKd | 9.58 | 9.58 | 9.58 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |