| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 24th, 2008 | 21 | Yes |
| 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) | 3.96 | 5.74 | -11.27 | 1 | 4 | 0 | 51 | 295.729 | 1 | ↓ |
| Ref Reference (pH 7) | 3.50 | 7.49 | -9.97 | 1 | 4 | 0 | 51 | 295.729 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GBRA1-1-E | GABA Receptor Alpha-1 Subunit (cluster #1 Of 8), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| GBRA2-1-E | GABA Receptor Alpha-2 Subunit (cluster #1 Of 8), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| GBRA3-1-E | GABA Receptor Alpha-3 Subunit (cluster #1 Of 8), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| GBRA5-1-E | GABA Receptor Alpha-5 Subunit (cluster #1 Of 8), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| GBRA6-8-E | GABA Receptor Alpha-6 Subunit (cluster #8 Of 8), Eukaryotic | Eukaryotes | 17 | 0.52 | Binding ≤ 10μM |
| GBRB3-2-E | GABA Receptor Beta-3 Subunit (cluster #2 Of 6), Eukaryotic | Eukaryotes | 17 | 0.52 | Binding ≤ 10μM |
| GBRG2-2-E | GABA Receptor Gamma-2 Subunit (cluster #2 Of 7), Eukaryotic | Eukaryotes | 17 | 0.52 | Binding ≤ 10μM |
| Z104301-1-O | GABA-A Receptor; Anion Channel (cluster #1 Of 8), Other | Other | 5 | 0.55 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GBRA1_HUMAN | P14867 | GABA Receptor Alpha-1 Subunit, Human | 0.23 | 0.64 | Binding ≤ 1μM |
| GBRA2_HUMAN | P47869 | GABA Receptor Alpha-2 Subunit, Human | 0.17 | 0.65 | Binding ≤ 1μM |
| GBRA3_HUMAN | P34903 | GABA Receptor Alpha-3 Subunit, Human | 0.12 | 0.66 | Binding ≤ 1μM |
| GBRA5_HUMAN | P31644 | GABA Receptor Alpha-5 Subunit, Human | 0.44 | 0.62 | Binding ≤ 1μM |
| GBRA6_HUMAN | Q16445 | GABA Receptor Alpha-6 Subunit, Human | 17.3 | 0.52 | Binding ≤ 1μM |
| GBRB3_HUMAN | P28472 | GABA Receptor Beta-3 Subunit, Human | 0.12 | 0.66 | Binding ≤ 1μM |
| GBRG2_HUMAN | P18507 | GABA Receptor Gamma-2 Subunit, Human | 0.12 | 0.66 | Binding ≤ 1μM |
| Z104301 | Z104301 | GABA-A Receptor; Anion Channel | 0.1 | 0.67 | Binding ≤ 1μM |
| GBRA1_HUMAN | P14867 | GABA Receptor Alpha-1 Subunit, Human | 0.23 | 0.64 | Binding ≤ 10μM |
| GBRA2_HUMAN | P47869 | GABA Receptor Alpha-2 Subunit, Human | 0.17 | 0.65 | Binding ≤ 10μM |
| GBRA3_HUMAN | P34903 | GABA Receptor Alpha-3 Subunit, Human | 0.12 | 0.66 | Binding ≤ 10μM |
| GBRA5_HUMAN | P31644 | GABA Receptor Alpha-5 Subunit, Human | 0.44 | 0.62 | Binding ≤ 10μM |
| GBRA6_HUMAN | Q16445 | GABA Receptor Alpha-6 Subunit, Human | 17.3 | 0.52 | Binding ≤ 10μM |
| GBRB3_HUMAN | P28472 | GABA Receptor Beta-3 Subunit, Human | 0.12 | 0.66 | Binding ≤ 10μM |
| GBRG2_HUMAN | P18507 | GABA Receptor Gamma-2 Subunit, Human | 0.12 | 0.66 | Binding ≤ 10μM |
| Z104301 | Z104301 | GABA-A Receptor; Anion Channel | 0.1 | 0.67 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| GABA A receptor activation | |
| Ligand-gated ion channel transport |
