| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 14 | 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) | 1.34 | 0.08 | -37.62 | 1 | 3 | 1 | 26 | 193.27 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5914328; US5948793; WO1999032480A1; WO2000023062A2 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACHA2-2-E | Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #2 Of 6), Eukaryotic | Eukaryotes | 320 | 0.65 | Binding ≤ 10μM |
| ACHA3-2-E | Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #2 Of 5), Eukaryotic | Eukaryotes | 8 | 0.81 | Binding ≤ 10μM |
| ACHA4-3-E | Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #3 Of 5), Eukaryotic | Eukaryotes | 220 | 0.67 | Binding ≤ 10μM |
| ACHA7-2-E | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #2 Of 6), Eukaryotic | Eukaryotes | 1530 | 0.58 | Binding ≤ 10μM |
| ACHB2-2-E | Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #2 Of 7), Eukaryotic | Eukaryotes | 8 | 0.81 | Binding ≤ 10μM |
| ACHB4-3-E | Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #3 Of 7), Eukaryotic | Eukaryotes | 320 | 0.65 | Binding ≤ 10μM |
| ACHD-3-E | Acetylcholine Receptor Protein Delta Chain (cluster #3 Of 3), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| Z104283-2-O | Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #2 Of 4), Other | Other | 750 | 0.61 | Binding ≤ 10μM |
| Z104287-3-O | Neuronal Acetylcholine Receptor; Alpha3/beta4 (cluster #3 Of 3), Other | Other | 1400 | 0.59 | Binding ≤ 10μM |
| Z104290-4-O | Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #4 Of 4), Other | Other | 0 | 0.00 | Binding ≤ 10μM |
| Z104290-4-O | Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #4 Of 4), Other | Other | 2 | 0.87 | Binding ≤ 10μM |
| Z104283-1-O | Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 2), Other | Other | 750 | 0.61 | Functional ≤ 10μM |
| Z81074-1-O | K177cell Line (cluster #1 Of 1), Other | Other | 750 | 0.61 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACHD_TORCA | P02718 | Acetylcholine Receptor Protein Delta Chain, Torca | 0.15 | 0.98 | Binding ≤ 1μM |
| ACHA2_HUMAN | Q15822 | Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit, Human | 2.5 | 0.86 | Binding ≤ 1μM |
| ACHA3_HUMAN | P32297 | Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit, Human | 7.7 | 0.81 | Binding ≤ 1μM |
| ACHA4_HUMAN | P43681 | Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit, Human | 220 | 0.67 | Binding ≤ 1μM |
| ACHB2_HUMAN | P17787 | Neuronal Acetylcholine Receptor Protein Beta-2 Subunit, Human | 2.5 | 0.86 | Binding ≤ 1μM |
| ACHB2_RAT | P12390 | Neuronal Acetylcholine Receptor Protein Beta-2 Subunit, Rat | 2.5 | 0.86 | Binding ≤ 1μM |
| ACHB4_HUMAN | P30926 | Neuronal Acetylcholine Receptor Protein Beta-4 Subunit, Human | 220 | 0.67 | Binding ≤ 1μM |
| ACHB4_RAT | P12392 | Neuronal Acetylcholine Receptor Protein Beta-4 Subunit, Rat | 220 | 0.67 | Binding ≤ 1μM |
| Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 0.15 | 0.98 | Binding ≤ 1μM |
| Z104283 | Z104283 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 750 | 0.61 | Binding ≤ 1μM |
| ACHD_TORCA | P02718 | Acetylcholine Receptor Protein Delta Chain, Torca | 0.15 | 0.98 | Binding ≤ 10μM |
| ACHA2_HUMAN | Q15822 | Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit, Human | 2.5 | 0.86 | Binding ≤ 10μM |
| ACHA3_HUMAN | P32297 | Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit, Human | 7.7 | 0.81 | Binding ≤ 10μM |
| ACHA4_HUMAN | P43681 | Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit, Human | 220 | 0.67 | Binding ≤ 10μM |
| ACHA7_HUMAN | P36544 | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit, Human | 1530 | 0.58 | Binding ≤ 10μM |
| ACHB2_HUMAN | P17787 | Neuronal Acetylcholine Receptor Protein Beta-2 Subunit, Human | 2.5 | 0.86 | Binding ≤ 10μM |
| ACHB2_RAT | P12390 | Neuronal Acetylcholine Receptor Protein Beta-2 Subunit, Rat | 2.5 | 0.86 | Binding ≤ 10μM |
| ACHB4_HUMAN | P30926 | Neuronal Acetylcholine Receptor Protein Beta-4 Subunit, Human | 220 | 0.67 | Binding ≤ 10μM |
| ACHB4_RAT | P12392 | Neuronal Acetylcholine Receptor Protein Beta-4 Subunit, Rat | 220 | 0.67 | Binding ≤ 10μM |
| Z104287 | Z104287 | Neuronal Acetylcholine Receptor; Alpha3/beta4 | 1400 | 0.59 | Binding ≤ 10μM |
| Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 0.15 | 0.98 | Binding ≤ 10μM |
| Z104283 | Z104283 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 750 | 0.61 | Binding ≤ 10μM |
| Z81074 | Z81074 | K177cell Line | 750 | 0.61 | Functional ≤ 10μM |
| Z104283 | Z104283 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 750 | 0.61 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Highly calcium permeable nicotinic acetylcholine receptors | |
| Highly calcium permeable postsynaptic nicotinic acetylcholine receptors | |
| Highly sodium permeable acetylcholine nicotinic receptors |
