Ligand Data
Ligand
Name | CHEMBL2237595 |
SMILES | CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[nH]2)cc1 |
InChIKey | IVHIYOHUWNXHCH-UHFFFAOYSA-N |
Type | small-molecule |
External Links |
Structure
Properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 2 |
Rotatable bonds | 12 |
Molecular weight | 569.2 |
Bioactivity
Receptor | Affinity (nM) | Potency (nM) | ||||||||
---|---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Min | Avg | Max | Min | Avg | Max |
AT1 | AGTR1 | Rabbit | Angiotensin | A (Rhodopsin) | 6.6 | 6.6 | 6.6 |