Ligand Data

Ligand

id 1454
Name EMPA
SMILES COc1ccc(cn1)N(S(=O)(=O)c1ccccc1C)CC(=O)N(Cc1cccnc1)CC
InChIKey KJPHTXTWFHVJIG-UHFFFAOYSA-N
Type small-molecule
External Links
Structure pdb 6TOD 6TPG 5WQC 5WS3

Structure

Properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 9
Molecular weight 454.2


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
OX1 OX1R Human Orexin A (Rhodopsin) 900 1817 4467
OX2 OX2R Human Orexin A (Rhodopsin) 1.1 167.7 1000.0