Ligand Data
Ligand
Name | CHEMBL181899 |
SMILES | COC(=O)c1ccccc1C1CCC(CNc2nccc(C)c2NC(=O)CC#N)CC1 |
InChIKey | VDZJSXVUEQLOKF-UHFFFAOYSA-N |
Type | small-molecule |
External Links |
Structure
Properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 7 |
Molecular weight | 420.2 |
Bioactivity
Receptor | Affinity (nM) | Potency (nM) | ||||||||
---|---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Min | Avg | Max | Min | Avg | Max |