Ligand Data
Ligand
| Name | CHEMBL3647698 |
| SMILES | CC(C1C(=O)NC(C(=O)NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=NC=C4)CC5=CC=CC=C5)CCCN=C(N)N)NCCSCC6CC7C(CC8=CNC9=CC=CC7=C89)N(C6)C)CC1=CC=CC=C1)O |
| InChIKey | JMVMBUDRQOJPSQ-IOJSDMHCSA-N |
| Type | small molecule |
| External Links |
Structure
Properties
| Hydrogen bond acceptors | 15 |
| Hydrogen bond donors | 15 |
| Rotatable bonds | 23 |
| Molecular weight | 1440.8 |
Bioactivity
| Receptor | Affinity (nM) | Potency (nM) | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Min | Avg | Max | Min | Avg | Max |