Ligand Data

Ligand

id 986
Name compound 24 [PMID: 16451050]
SMILES O=C([C@H]1CCCN1Cc1ccccc1)NCCCN1CCC2(CC1)OCc1c2cccc1
InChIKey MAKMQGKJURAJEN-RUZDIDTESA-N
Type small-molecule
External Links
Structure pdb 4EA3

Structure

Properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight 433.3


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
NOP OPRX Human Opioid A (Rhodopsin) 0.1 0.2 0.3
κ OPRK Human Opioid A (Rhodopsin) 2500 2500 2500
μ OPRM Human Opioid A (Rhodopsin) 6700 6700 6700