Ligand Data

Ligand

id 99067
Name CHEMBL27617
SMILES COc1cccc(Sc2c(C(=O)O)n(Cc3ccc4c(c3)OCO4)c3cc4c(cc23)OCO4)c1
InChIKey XBXUZKKIOMHQDF-UHFFFAOYSA-N
Type small-molecule
External Links

Structure

Properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight 477.1


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
ETB EDNRB Human Endothelin A (Rhodopsin) 760 760 760
ETA EDNRA Human Endothelin A (Rhodopsin) 84.0 84.0 84.0