Ligand Data

Ligand

id 69
Name 2-iodo-melatonin
SMILES COc1ccc2c(c1)c(CCNC(=O)C)c([nH]2)I
InChIKey FJDDSMSDZHURBJ-UHFFFAOYSA-N
Type small-molecule
External Links
Structure pdb 6ME4 7VGY

Structure

Properties

Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight 358.0


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
MT2 MTR1B Human Melatonin A (Rhodopsin) 0.2 0.2 0.2
MT1 MTR1A Human Melatonin A (Rhodopsin) 0.0 0.4 1.0
TSH TSHR Human Glycoprotein hormone A (Rhodopsin) 794 794 794