| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 24th, 2008 | 9 | No |
Popular Name: CGP-34938 CGP-34938
| 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) | -2.47 | -3.17 | -59.16 | 4 | 4 | 0 | 88 | 153.118 | 3 | ↓ |
| Hi High (pH 8-9.5) | -2.47 | -3.55 | -41.57 | 3 | 4 | -1 | 86 | 152.11 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GABR1-1-E | GABA-B Receptor 1 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 152 | 1.06 | Binding ≤ 10μM |
| GABR2-1-E | GABA-B Receptor 2 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 152 | 1.06 | Binding ≤ 10μM |
| GBRR1-1-E | GABA Receptor Rho-1 Subunit (cluster #1 Of 4), Eukaryotic | Eukaryotes | 5400 | 0.82 | Functional ≤ 10μM |
| Z50597-2-O | Rattus Norvegicus (cluster #2 Of 12), Other | Other | 600 | 0.97 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GABR1_RAT | Q9Z0U4 | GABA-B Receptor 1, Rat | 152 | 1.06 | Binding ≤ 1μM |
| GABR2_RAT | O88871 | GABA-B Receptor 2, Rat | 152 | 1.06 | Binding ≤ 1μM |
| GABR1_RAT | Q9Z0U4 | GABA-B Receptor 1, Rat | 152 | 1.06 | Binding ≤ 10μM |
| GABR2_RAT | O88871 | GABA-B Receptor 2, Rat | 152 | 1.06 | Binding ≤ 10μM |
| GBRR1_HUMAN | P24046 | GABA Receptor Rho-1 Subunit, Human | 5400 | 0.82 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 600 | 0.97 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| GABA A (rho) receptor activation | |
| Ligand-gated ion channel transport |
