Ligand Data

Ligand

id 109062
Name CHEMBL320208
SMILES CCCCCc1ccc2c(n1)[C@@H](c1ccc(OC)cc1)[C@H](C(=O)O)[C@H]2c1ccc2c(c1)OCO2
InChIKey FHOLSLVTQPRBKJ-KKUQBAQOSA-N
Type small-molecule
External Links

Structure

Properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight 459.2


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
ETB EDNRB Human Endothelin A (Rhodopsin) 9.1 9.1 9.1
ETA EDNRA Human Endothelin A (Rhodopsin) 1.9 1.9 1.9