In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 8th, 2009 | 20 | No |
Popular Name: 1H-Indolium, 1-[4-[(4,5-dihydro-3-isoxazolyl)oxy]-2-butyn-1-yl]-2,3-dihydro-1-methyl- 1H-Indolium, 1-[4-[(4,5-dihydro-…
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CAS Number: 958936-43-1
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) | -1.35 | 8.04 | -32.81 | 0 | 4 | 1 | 31 | 271.34 | 3 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ACM2-1-E | Muscarinic Acetylcholine Receptor M2 (cluster #1 Of 6), Eukaryotic | Eukaryotes | 4099 | 0.38 | Binding ≤ 10μM |
ACM3-1-E | Muscarinic Acetylcholine Receptor M3 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 5539 | 0.37 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ACM2_HUMAN | P08172 | Muscarinic Acetylcholine Receptor M2, Human | 4099 | 0.38 | Binding ≤ 10μM |
ACM3_HUMAN | P20309 | Muscarinic Acetylcholine Receptor M3, Human | 5539 | 0.37 | Binding ≤ 10μM |
Description | Species |
---|---|
Acetylcholine regulates insulin secretion | |
G alpha (i) signalling events | |
G alpha (q) signalling events | |
Muscarinic acetylcholine receptors |
No pre-computed analogs available. Try a structural similarity search.