In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 40 | No |
Popular Name: ethyl ethyl
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) | 3.48 | 6.7 | -64.03 | 6 | 10 | 1 | 141 | 547.632 | 11 | ↓ |
Hi High (pH 8-9.5) | 3.66 | 4.33 | -42.81 | 5 | 10 | 0 | 148 | 546.624 | 11 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ACM1-2-E | Muscarinic Acetylcholine Receptor M1 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 1000 | 0.21 | Functional ≤ 10μM |
ACM1-2-E | Muscarinic Acetylcholine Receptor M1 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 1995 | 0.20 | Functional ≤ 10μM |
ACM2-1-E | Muscarinic Acetylcholine Receptor M2 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 126 | 0.24 | Functional ≤ 10μM |
ACM2-1-E | Muscarinic Acetylcholine Receptor M2 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 158 | 0.24 | Functional ≤ 10μM |
ACM3-2-E | Muscarinic Acetylcholine Receptor M3 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 16 | 0.27 | Functional ≤ 10μM |
ACM3-2-E | Muscarinic Acetylcholine Receptor M3 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 20 | 0.27 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ACM1_HUMAN | P11229 | Muscarinic Acetylcholine Receptor M1, Human | 1995.26231 | 0.20 | Functional ≤ 10μM |
ACM2_HUMAN | P08172 | Muscarinic Acetylcholine Receptor M2, Human | 158.489319 | 0.24 | Functional ≤ 10μM |
ACM3_HUMAN | P20309 | Muscarinic Acetylcholine Receptor M3, Human | 19.9526231 | 0.27 | Functional ≤ 10μM |
Description | Species |
---|---|
Acetylcholine regulates insulin secretion | |
G alpha (i) signalling events | |
G alpha (q) signalling events | |
Muscarinic acetylcholine receptors |