| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 3rd, 2006 | 26 | No |
| 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) | 3.67 | 1.01 | -34.81 | 3 | 7 | 1 | 90 | 352.418 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT1A-1-E | Serotonin 1a (5-HT1a) Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 47 | 0.39 | Binding ≤ 10μM |
| 5HT1D-1-E | Serotonin 1d (5-HT1d) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3 | 0.46 | Binding ≤ 10μM |
| GBRA1-1-E | GABA Receptor Alpha-1 Subunit (cluster #1 Of 8), Eukaryotic | Eukaryotes | 9600 | 0.27 | Binding ≤ 10μM |
| GBRA2-1-E | GABA Receptor Alpha-2 Subunit (cluster #1 Of 8), Eukaryotic | Eukaryotes | 9600 | 0.27 | Binding ≤ 10μM |
| GBRA3-1-E | GABA Receptor Alpha-3 Subunit (cluster #1 Of 8), Eukaryotic | Eukaryotes | 9600 | 0.27 | Binding ≤ 10μM |
| GBRA4-1-E | GABA Receptor Alpha-4 Subunit (cluster #1 Of 7), Eukaryotic | Eukaryotes | 9600 | 0.27 | Binding ≤ 10μM |
| GBRA5-3-E | GABA Receptor Alpha-5 Subunit (cluster #3 Of 8), Eukaryotic | Eukaryotes | 9600 | 0.27 | Binding ≤ 10μM |
| GBRA6-8-E | GABA Receptor Alpha-6 Subunit (cluster #8 Of 8), Eukaryotic | Eukaryotes | 9600 | 0.27 | Binding ≤ 10μM |
| GBRB1-1-E | GABA Receptor Beta-1 Subunit (cluster #1 Of 6), Eukaryotic | Eukaryotes | 9600 | 0.27 | Binding ≤ 10μM |
| GBRB2-1-E | GABA Receptor Beta-2 Subunit (cluster #1 Of 7), Eukaryotic | Eukaryotes | 9600 | 0.27 | Binding ≤ 10μM |
| GBRB3-1-E | GABA Receptor Beta-3 Subunit (cluster #1 Of 6), Eukaryotic | Eukaryotes | 9600 | 0.27 | Binding ≤ 10μM |
| GBRD-1-E | GABA Receptor Delta Subunit (cluster #1 Of 5), Eukaryotic | Eukaryotes | 9600 | 0.27 | Binding ≤ 10μM |
| GBRE-1-E | GABA Receptor Epsilon Subunit (cluster #1 Of 5), Eukaryotic | Eukaryotes | 9600 | 0.27 | Binding ≤ 10μM |
| GBRG1-1-E | GABA Receptor Gamma-1 Subunit (cluster #1 Of 7), Eukaryotic | Eukaryotes | 9600 | 0.27 | Binding ≤ 10μM |
| GBRG2-1-E | GABA Receptor Gamma-2 Subunit (cluster #1 Of 7), Eukaryotic | Eukaryotes | 9600 | 0.27 | Binding ≤ 10μM |
| GBRG3-2-E | GABA Receptor Gamma-3 Subunit (cluster #2 Of 7), Eukaryotic | Eukaryotes | 9600 | 0.27 | Binding ≤ 10μM |
| GBRP-1-E | GABA Receptor Pi Subunit (cluster #1 Of 6), Eukaryotic | Eukaryotes | 9600 | 0.27 | Binding ≤ 10μM |
| GBRT-2-E | GABA Receptor Theta Subunit (cluster #2 Of 5), Eukaryotic | Eukaryotes | 9600 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 33 | 0.40 | Binding ≤ 1μM |
| 5HT1D_RAT | P28565 | Serotonin 1d (5-HT1d) Receptor, Rat | 1.3 | 0.48 | Binding ≤ 1μM |
| GBRA1_HUMAN | P14867 | GABA Receptor Alpha-1 Subunit, Human | 9549.92586 | 0.27 | Binding ≤ 10μM |
| GBRA2_HUMAN | P47869 | GABA Receptor Alpha-2 Subunit, Human | 9549.92586 | 0.27 | Binding ≤ 10μM |
| GBRA3_HUMAN | P34903 | GABA Receptor Alpha-3 Subunit, Human | 9549.92586 | 0.27 | Binding ≤ 10μM |
| GBRA4_HUMAN | P48169 | GABA Receptor Alpha-4 Subunit, Human | 9549.92586 | 0.27 | Binding ≤ 10μM |
| GBRA5_HUMAN | P31644 | GABA Receptor Alpha-5 Subunit, Human | 9549.92586 | 0.27 | Binding ≤ 10μM |
| GBRA6_HUMAN | Q16445 | GABA Receptor Alpha-6 Subunit, Human | 9549.92586 | 0.27 | Binding ≤ 10μM |
| GBRB1_HUMAN | P18505 | GABA Receptor Beta-1 Subunit, Human | 9549.92586 | 0.27 | Binding ≤ 10μM |
| GBRB2_HUMAN | P47870 | GABA Receptor Beta-2 Subunit, Human | 9549.92586 | 0.27 | Binding ≤ 10μM |
| GBRB3_HUMAN | P28472 | GABA Receptor Beta-3 Subunit, Human | 9549.92586 | 0.27 | Binding ≤ 10μM |
| GBRD_HUMAN | O14764 | GABA Receptor Delta Subunit, Human | 9549.92586 | 0.27 | Binding ≤ 10μM |
| GBRE_HUMAN | P78334 | GABA Receptor Epsilon Subunit, Human | 9549.92586 | 0.27 | Binding ≤ 10μM |
| GBRG1_HUMAN | Q8N1C3 | GABA Receptor Gamma-1 Subunit, Human | 9549.92586 | 0.27 | Binding ≤ 10μM |
| GBRG2_HUMAN | P18507 | GABA Receptor Gamma-2 Subunit, Human | 9549.92586 | 0.27 | Binding ≤ 10μM |
| GBRG3_HUMAN | Q99928 | GABA Receptor Gamma-3 Subunit, Human | 9549.92586 | 0.27 | Binding ≤ 10μM |
| GBRP_HUMAN | O00591 | GABA Receptor Pi Subunit, Human | 9549.92586 | 0.27 | Binding ≤ 10μM |
| GBRT_HUMAN | Q9UN88 | GABA Receptor Theta Subunit, Human | 9549.92586 | 0.27 | Binding ≤ 10μM |
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 33 | 0.40 | Binding ≤ 10μM |
| 5HT1D_RAT | P28565 | Serotonin 1d (5-HT1d) Receptor, Rat | 1.3 | 0.48 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| GABA A receptor activation | |
| Ligand-gated ion channel transport | |
| Serotonin receptors |
No pre-computed analogs available. Try a structural similarity search.