| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 17th, 2006 | 23 | Yes |
Popular Name: BRD-K68392338-003-01-2 BRD-K68392338-003-01-2
Find On: PubMed — Wikipedia — Google
CAS Number: 89592-45-0
| 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) | 4.16 | 8.08 | -10.78 | 1 | 5 | 0 | 64 | 312.369 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.16 | 8.55 | -32.2 | 2 | 5 | 1 | 65 | 313.377 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GBRA1-1-E | GABA Receptor Alpha-1 Subunit (cluster #1 Of 5), Eukaryotic | Eukaryotes | 137 | 0.42 | Functional ≤ 10μM |
| GBRA2-1-E | GABA Receptor Alpha-2 Subunit (cluster #1 Of 4), Eukaryotic | Eukaryotes | 137 | 0.42 | Functional ≤ 10μM |
| GBRA3-1-E | GABA Receptor Alpha-3 Subunit (cluster #1 Of 4), Eukaryotic | Eukaryotes | 137 | 0.42 | Functional ≤ 10μM |
| GBRA4-1-E | GABA Receptor Alpha-4 Subunit (cluster #1 Of 4), Eukaryotic | Eukaryotes | 137 | 0.42 | Functional ≤ 10μM |
| GBRB3-1-E | GABA Receptor Beta-3 Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 137 | 0.42 | Functional ≤ 10μM |
| GBRG2-1-E | GABA Receptor Gamma-2 Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 137 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GBRA1_HUMAN | P14867 | GABA Receptor Alpha-1 Subunit, Human | 137 | 0.42 | Functional ≤ 10μM |
| GBRA2_HUMAN | P47869 | GABA Receptor Alpha-2 Subunit, Human | 137 | 0.42 | Functional ≤ 10μM |
| GBRA3_HUMAN | P34903 | GABA Receptor Alpha-3 Subunit, Human | 137 | 0.42 | Functional ≤ 10μM |
| GBRA4_HUMAN | P48169 | GABA Receptor Alpha-4 Subunit, Human | 137 | 0.42 | Functional ≤ 10μM |
| GBRB3_HUMAN | P28472 | GABA Receptor Beta-3 Subunit, Human | 137 | 0.42 | Functional ≤ 10μM |
| GBRG2_HUMAN | P18507 | GABA Receptor Gamma-2 Subunit, Human | 137 | 0.42 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| GABA A receptor activation | |
| Ligand-gated ion channel transport |
