| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2009 | 19 | Yes |
Popular Name: 6-chloro-2-(3-chlorophenyl)chromen-4-one 6-chloro-2-(3-chlorophenyl)chrom…
Find On: PubMed — Wikipedia — Google
CAS Number: 141109-91-3
| 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) | 5.05 | 9.32 | -9.36 | 0 | 2 | 0 | 30 | 291.133 | 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 | 23 | 0.56 | Binding ≤ 10μM |
| GBRA2-1-E | GABA Receptor Alpha-2 Subunit (cluster #1 Of 8), Eukaryotic | Eukaryotes | 23 | 0.56 | Binding ≤ 10μM |
| GBRA3-1-E | GABA Receptor Alpha-3 Subunit (cluster #1 Of 8), Eukaryotic | Eukaryotes | 23 | 0.56 | Binding ≤ 10μM |
| GBRA4-1-E | GABA Receptor Alpha-4 Subunit (cluster #1 Of 7), Eukaryotic | Eukaryotes | 23 | 0.56 | Binding ≤ 10μM |
| GBRA5-6-E | GABA Receptor Alpha-5 Subunit (cluster #6 Of 8), Eukaryotic | Eukaryotes | 23 | 0.56 | Binding ≤ 10μM |
| GBRA6-6-E | GABA Receptor Alpha-6 Subunit (cluster #6 Of 8), Eukaryotic | Eukaryotes | 23 | 0.56 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GBRA1_HUMAN | P14867 | GABA Receptor Alpha-1 Subunit, Human | 22.9086765 | 0.56 | Binding ≤ 1μM |
| GBRA2_HUMAN | P47869 | GABA Receptor Alpha-2 Subunit, Human | 22.9086765 | 0.56 | Binding ≤ 1μM |
| GBRA3_HUMAN | P34903 | GABA Receptor Alpha-3 Subunit, Human | 22.9086765 | 0.56 | Binding ≤ 1μM |
| GBRA4_HUMAN | P48169 | GABA Receptor Alpha-4 Subunit, Human | 22.9086765 | 0.56 | Binding ≤ 1μM |
| GBRA5_HUMAN | P31644 | GABA Receptor Alpha-5 Subunit, Human | 22.9086765 | 0.56 | Binding ≤ 1μM |
| GBRA6_HUMAN | Q16445 | GABA Receptor Alpha-6 Subunit, Human | 22.9086765 | 0.56 | Binding ≤ 1μM |
| GBRA1_HUMAN | P14867 | GABA Receptor Alpha-1 Subunit, Human | 22.9086765 | 0.56 | Binding ≤ 10μM |
| GBRA2_HUMAN | P47869 | GABA Receptor Alpha-2 Subunit, Human | 22.9086765 | 0.56 | Binding ≤ 10μM |
| GBRA3_HUMAN | P34903 | GABA Receptor Alpha-3 Subunit, Human | 22.9086765 | 0.56 | Binding ≤ 10μM |
| GBRA4_HUMAN | P48169 | GABA Receptor Alpha-4 Subunit, Human | 22.9086765 | 0.56 | Binding ≤ 10μM |
| GBRA5_HUMAN | P31644 | GABA Receptor Alpha-5 Subunit, Human | 22.9086765 | 0.56 | Binding ≤ 10μM |
| GBRA6_HUMAN | Q16445 | GABA Receptor Alpha-6 Subunit, Human | 22.9086765 | 0.56 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| GABA A receptor activation | |
| Ligand-gated ion channel transport |
