| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 24 | No |
Popular Name: (3S,5R)-5-[(2R)-1-methylpyrrolidin-2-yl]-2,2-diphenyl-1,3-oxathiolane (3S,5R)-5-[(2R)-1-methylpyrrolid…
| 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) | 2.80 | 9.66 | -46.71 | 1 | 3 | 1 | 31 | 342.484 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACM1-1-E | Muscarinic Acetylcholine Receptor M1 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 74 | 0.42 | Binding ≤ 10μM |
| ACM2-4-E | Muscarinic Acetylcholine Receptor M2 (cluster #4 Of 6), Eukaryotic | Eukaryotes | 40 | 0.43 | Binding ≤ 10μM |
| ACM3-1-E | Muscarinic Acetylcholine Receptor M3 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 513 | 0.37 | Binding ≤ 10μM |
| ACM4-1-E | Muscarinic Acetylcholine Receptor M4 (cluster #1 Of 6), Eukaryotic | Eukaryotes | 513 | 0.37 | Binding ≤ 10μM |
| ACM5-3-E | Muscarinic Acetylcholine Receptor M5 (cluster #3 Of 4), Eukaryotic | Eukaryotes | 355 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACM1_HUMAN | P11229 | Muscarinic Acetylcholine Receptor M1, Human | 109.64782 | 0.41 | Binding ≤ 1μM |
| ACM2_HUMAN | P08172 | Muscarinic Acetylcholine Receptor M2, Human | 229.086765 | 0.39 | Binding ≤ 1μM |
| ACM3_HUMAN | P20309 | Muscarinic Acetylcholine Receptor M3, Human | 281.838293 | 0.38 | Binding ≤ 1μM |
| ACM4_HUMAN | P08173 | Muscarinic Acetylcholine Receptor M4, Human | 316.227766 | 0.38 | Binding ≤ 1μM |
| ACM5_HUMAN | P08912 | Muscarinic Acetylcholine Receptor M5, Human | 338.844156 | 0.38 | Binding ≤ 1μM |
| ACM1_HUMAN | P11229 | Muscarinic Acetylcholine Receptor M1, Human | 109.64782 | 0.41 | Binding ≤ 10μM |
| ACM2_HUMAN | P08172 | Muscarinic Acetylcholine Receptor M2, Human | 229.086765 | 0.39 | Binding ≤ 10μM |
| ACM3_HUMAN | P20309 | Muscarinic Acetylcholine Receptor M3, Human | 281.838293 | 0.38 | Binding ≤ 10μM |
| ACM4_HUMAN | P08173 | Muscarinic Acetylcholine Receptor M4, Human | 316.227766 | 0.38 | Binding ≤ 10μM |
| ACM5_HUMAN | P08912 | Muscarinic Acetylcholine Receptor M5, Human | 338.844156 | 0.38 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Acetylcholine regulates insulin secretion | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Muscarinic acetylcholine receptors |
