CHEMBL2112709
SMILES | NC(N)=NCCC[C@H](NC(=O)[C@H](N)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)N[C@H]1CCc2cccc3c2N(C1=O)[C@@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)O)C3 |
InChIKey | IZAXWIYFWPIURS-QNLKUILJSA-N |
Chemical properties
Hydrogen bond acceptors | 17 |
Hydrogen bond donors | 16 |
Rotatable bonds | 30 |
Molecular weight (Da) | 1221.6 |
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 | 6.8 | 6.8 | 6.8 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |