| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 24th, 2010 | 42 | No |
| 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) | 3.03 | 8.31 | -74.12 | 6 | 10 | 1 | 148 | 569.686 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.03 | 5.84 | -20.9 | 5 | 10 | 0 | 147 | 568.678 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.22 | 5.95 | -51.19 | 5 | 10 | 0 | 154 | 568.678 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACM1-2-E | Muscarinic Acetylcholine Receptor M1 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 3162 | 0.18 | Functional ≤ 10μM |
| ACM2-1-E | Muscarinic Acetylcholine Receptor M2 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1585 | 0.19 | Functional ≤ 10μM |
| ACM3-2-E | Muscarinic Acetylcholine Receptor M3 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 100 | 0.23 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACM1_HUMAN | P11229 | Muscarinic Acetylcholine Receptor M1, Human | 3162.27766 | 0.18 | Functional ≤ 10μM |
| ACM2_HUMAN | P08172 | Muscarinic Acetylcholine Receptor M2, Human | 1584.89319 | 0.19 | Functional ≤ 10μM |
| ACM3_HUMAN | P20309 | Muscarinic Acetylcholine Receptor M3, Human | 100 | 0.23 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Acetylcholine regulates insulin secretion | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Muscarinic acetylcholine receptors |
