Ligand Data

Ligand

id 2570
Name naltrindole
SMILES Oc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@]4(O)Cc2c1[nH]c1c2cccc1)CC1CC1
InChIKey WIYUZYBFCWCCQJ-IFKAHUTRSA-N
Type small-molecule
External Links
Structure pdb 4EJ4 4N6H

Structure

Properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 2
Molecular weight 414.2


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
κ OPRK Mouse Opioid A (Rhodopsin) 9.5 9.5 9.5
κ OPRK Rat Opioid A (Rhodopsin) 1.2 22.5 42.0
μ OPRM Mouse Opioid A (Rhodopsin) 15.0 15.5 16.6
δ OPRD Mouse Opioid A (Rhodopsin) 0.0 0.7 2.6
NOP OPRX Human Opioid A (Rhodopsin) 3.9 3.9 3.9
δ OPRD Rat Opioid A (Rhodopsin) 0.0 1.0 12.3
κ OPRK Guinea pig Opioid A (Rhodopsin) 4.7 139.9 2000.0
μ OPRM Rat Opioid A (Rhodopsin) 0.4 30.8 151.0
δ OPRD Human Opioid A (Rhodopsin) 0.0 0.6 11.2 0.1 0.1 0.1
κ OPRK Human Opioid A (Rhodopsin) 2.9 18.0 75.0 5.0 5.0 5.0
μ OPRM Human Opioid A (Rhodopsin) 5.3 24.1 151.0 4.3 4.3 4.3