Ligand Data
Ligand
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 |