| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 1st, 2006 | 22 | Yes |
Popular Name: CGS-9895 CGS-9895
| 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) | 3.36 | 4.54 | -12.43 | 1 | 5 | 0 | 60 | 291.31 | 2 | ↓ |
| Ref Reference (pH 7) | 2.90 | 6.28 | -12.66 | 1 | 5 | 0 | 60 | 291.31 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US6087372; WO1998024435A1 | IBM Patent Data |
| 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 | 100 | 0.45 | Binding ≤ 10μM |
| GBRA3-1-E | GABA Receptor Alpha-3 Subunit (cluster #1 Of 8), Eukaryotic | Eukaryotes | 100 | 0.45 | Binding ≤ 10μM |
| GBRA4-1-E | GABA Receptor Alpha-4 Subunit (cluster #1 Of 7), Eukaryotic | Eukaryotes | 100 | 0.45 | Binding ≤ 10μM |
| GBRA5-1-E | GABA Receptor Alpha-5 Subunit (cluster #1 Of 8), Eukaryotic | Eukaryotes | 5 | 0.53 | Binding ≤ 10μM |
| GBRB1-1-E | GABA Receptor Beta-1 Subunit (cluster #1 Of 6), Eukaryotic | Eukaryotes | 100 | 0.45 | Binding ≤ 10μM |
| GBRG2-2-E | GABA Receptor Gamma-2 Subunit (cluster #2 Of 7), Eukaryotic | Eukaryotes | 100 | 0.45 | Binding ≤ 10μM |
| Z104301-1-O | GABA-A Receptor; Anion Channel (cluster #1 Of 8), Other | Other | 9 | 0.51 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GBRA1_HUMAN | P14867 | GABA Receptor Alpha-1 Subunit, Human | 0.1 | 0.64 | Binding ≤ 1μM |
| GBRA1_BOVIN | P08219 | GABA Receptor Alpha-1 Subunit, Bovin | 100 | 0.45 | Binding ≤ 1μM |
| GBRA2_RAT | P23576 | GABA Receptor Alpha-2 Subunit, Rat | 100 | 0.45 | Binding ≤ 1μM |
| GBRA2_BOVIN | P10063 | GABA Receptor Alpha-2 Subunit, Bovin | 100 | 0.45 | Binding ≤ 1μM |
| GBRA3_BOVIN | P10064 | GABA Receptor Alpha-3 Subunit, Bovin | 100 | 0.45 | Binding ≤ 1μM |
| GBRA4_BOVIN | P20237 | GABA Receptor Alpha-4 Subunit, Bovin | 100 | 0.45 | Binding ≤ 1μM |
| GBRA5_HUMAN | P31644 | GABA Receptor Alpha-5 Subunit, Human | 5 | 0.53 | Binding ≤ 1μM |
| GBRB1_BOVIN | P08220 | GABA Receptor Beta-1 Subunit, Bovin | 100 | 0.45 | Binding ≤ 1μM |
| GBRG2_BOVIN | P22300 | GABA Receptor Gamma-2 Subunit, Bovin | 100 | 0.45 | Binding ≤ 1μM |
| Z104301 | Z104301 | GABA-A Receptor; Anion Channel | 0.1 | 0.64 | Binding ≤ 1μM |
| GBRA1_HUMAN | P14867 | GABA Receptor Alpha-1 Subunit, Human | 0.1 | 0.64 | Binding ≤ 10μM |
| GBRA1_BOVIN | P08219 | GABA Receptor Alpha-1 Subunit, Bovin | 100 | 0.45 | Binding ≤ 10μM |
| GBRA2_BOVIN | P10063 | GABA Receptor Alpha-2 Subunit, Bovin | 100 | 0.45 | Binding ≤ 10μM |
| GBRA2_RAT | P23576 | GABA Receptor Alpha-2 Subunit, Rat | 100 | 0.45 | Binding ≤ 10μM |
| GBRA3_BOVIN | P10064 | GABA Receptor Alpha-3 Subunit, Bovin | 100 | 0.45 | Binding ≤ 10μM |
| GBRA4_BOVIN | P20237 | GABA Receptor Alpha-4 Subunit, Bovin | 100 | 0.45 | Binding ≤ 10μM |
| GBRA5_HUMAN | P31644 | GABA Receptor Alpha-5 Subunit, Human | 5 | 0.53 | Binding ≤ 10μM |
| GBRB1_BOVIN | P08220 | GABA Receptor Beta-1 Subunit, Bovin | 100 | 0.45 | Binding ≤ 10μM |
| GBRG2_BOVIN | P22300 | GABA Receptor Gamma-2 Subunit, Bovin | 100 | 0.45 | Binding ≤ 10μM |
| Z104301 | Z104301 | GABA-A Receptor; Anion Channel | 0.1 | 0.64 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| GABA A receptor activation | |
| Ligand-gated ion channel transport |
