| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 21 | Yes |
None
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 4.59 | 9.6 | -12.14 | 1 | 2 | 0 | 29 | 288.272 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.59 | 10.03 | -33.11 | 2 | 2 | 1 | 30 | 289.28 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NPY1R-1-E | Neuropeptide Y Receptor Type 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 18 | 0.52 | Binding ≤ 10μM |
| NPY5R-1-E | Neuropeptide Y Receptor Type 5 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 18 | 0.52 | Binding ≤ 10μM |
| SCN2A-1-E | Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2700 | 0.37 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NPY1R_HUMAN | P25929 | Neuropeptide Y Receptor Type 1, Human | 18 | 0.52 | Binding ≤ 1μM |
| NPY5R_HUMAN | Q15761 | Neuropeptide Y Receptor Type 5, Human | 18 | 0.52 | Binding ≤ 1μM |
| NPY1R_HUMAN | P25929 | Neuropeptide Y Receptor Type 1, Human | 18 | 0.52 | Binding ≤ 10μM |
| NPY5R_HUMAN | Q15761 | Neuropeptide Y Receptor Type 5, Human | 18 | 0.52 | Binding ≤ 10μM |
| SCN2A_HUMAN | Q99250 | Sodium Channel Protein Type II Alpha Subunit, Human | 2700 | 0.37 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Interaction between L1 and Ankyrins | |
| Peptide ligand-binding receptors |
