Ligand Data
Ligand
Name | CHEMBL306761 |
SMILES | CCCc1nc(CC)c(C(=O)OCc2ccccc2Sc2ccccc2)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCCC(C)C)cc1F |
InChIKey | HCWMBLIRAUEBFE-UHFFFAOYSA-N |
Type | small-molecule |
External Links |
Structure
Properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 1 |
Rotatable bonds | 16 |
Molecular weight | 757.3 |
Bioactivity
Receptor | Affinity (nM) | Potency (nM) | ||||||||
---|---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Min | Avg | Max | Min | Avg | Max |
AT1 | AGTR1 | Human | Angiotensin | A (Rhodopsin) | 1.0 | 1.0 | 1.0 | |||
AT2 | AGTR2 | Human | Angiotensin | A (Rhodopsin) | 2.0 | 2.0 | 2.0 |