CodeACH
NameAcetylcholine
Synonyms
  • Acetylcholine
  • Choline acetate
  • ACh
  • O-Acetylcholine
  • Acetylcholine chloride
Identifier2-acetyloxyethyl-trimethyl-azanium
FormulaC7 H16 N O2
Molecular Weight146.207
SMILESCC(=O)OCC[N+](C)(C)C
PubChem187
Formal Charge1
Total Atoms26
Total Chiral Atoms0
Total Bonds25
Total Aromatic Bonds0
Networks4
 missing image

This ligand is also present in the following 4 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
7T8X A Amine Acetylcholine (muscarinic) M2 Homo Sapiens Acetylcholine - chim(NtGi1-Go)/Beta1/Gamma2 3.21 2023-01-25 10.1038/s41467-022-35726-z

A 2D representation of the interactions of ACH in 7T8X
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:I72 R:R:S76 3.1 2 Yes No 8 8 2 2
R:R:I72 R:R:S107 4.64 2 Yes No 8 8 2 1
R:R:I72 R:R:Y430 2.42 2 Yes Yes 8 9 2 1
R:R:D103 R:R:S76 10.31 2 No No 9 8 1 2
R:R:S76 R:R:Y430 6.36 2 No Yes 8 9 2 1
R:R:M77 R:R:W427 11.63 2 Yes Yes 9 9 2 2
R:R:M77 R:R:Y430 2.39 2 Yes Yes 9 9 2 1
R:R:Y426 R:R:Y80 9.93 2 Yes Yes 7 8 1 2
R:R:W427 R:R:Y80 5.79 2 Yes Yes 9 8 2 2
R:R:Y430 R:R:Y80 4.96 2 Yes Yes 9 8 1 2
R:R:D103 R:R:Y430 8.05 2 No Yes 9 9 1 1
L:L:?1 R:R:D103 5.93 2 Yes No 0 9 0 1
R:R:W155 R:R:Y104 13.5 2 Yes Yes 8 8 1 1
R:R:I159 R:R:Y104 2.42 2 Yes Yes 8 8 2 1
R:R:I178 R:R:Y104 12.09 2 Yes Yes 7 8 2 1
R:R:F181 R:R:Y104 2.06 2 Yes Yes 5 8 2 1
R:R:Y104 R:R:Y403 4.96 2 Yes Yes 8 8 1 1
R:R:Y104 R:R:Y426 5.96 2 Yes Yes 8 7 1 1
L:L:?1 R:R:Y104 13.32 2 Yes Yes 0 8 0 1
R:R:S107 R:R:W400 2.47 2 No Yes 8 9 1 1
L:L:?1 R:R:S107 7.87 2 Yes No 0 8 0 1
R:R:L154 R:R:N108 4.12 2 No Yes 8 9 2 2
R:R:N108 R:R:W155 10.17 2 Yes Yes 9 8 2 1
R:R:V111 R:R:W400 6.13 0 No Yes 9 9 2 1
R:R:L154 R:R:W155 9.11 2 No Yes 8 8 2 1
R:R:I159 R:R:W155 3.52 2 Yes Yes 8 8 2 1
R:R:T190 R:R:W155 8.49 0 No Yes 9 8 2 1
L:L:?1 R:R:W155 5.97 2 Yes Yes 0 8 0 1
R:R:I159 R:R:I178 2.94 2 Yes Yes 8 7 2 2
R:R:F181 R:R:I178 3.77 2 Yes Yes 5 7 2 2
R:R:F181 R:R:Y403 2.06 2 Yes Yes 5 8 2 1
R:R:F195 R:R:F396 5.36 2 Yes Yes 9 9 2 2
R:R:F195 R:R:W400 4.01 2 Yes Yes 9 9 2 1
R:R:F195 R:R:N404 14.5 2 Yes No 9 7 2 2
R:R:F396 R:R:W400 10.02 2 Yes Yes 9 9 2 1
R:R:T399 R:R:W400 6.06 2 No Yes 9 9 2 1
R:R:N432 R:R:T399 11.7 2 No No 9 9 2 2
R:R:N432 R:R:W400 13.56 2 No Yes 9 9 2 1
L:L:?1 R:R:W400 8.96 2 Yes Yes 0 9 0 1
R:R:N404 R:R:Y403 4.65 0 No Yes 7 8 2 1
R:R:V407 R:R:Y403 5.05 0 No Yes 8 8 2 1
R:R:Y403 R:R:Y426 5.96 2 Yes Yes 8 7 1 1
R:R:C429 R:R:Y403 4.03 2 No Yes 8 8 1 1
L:L:?1 R:R:Y403 10.24 2 Yes Yes 0 8 0 1
R:R:W422 R:R:Y426 7.72 2 No Yes 6 7 2 1
R:R:Y426 R:R:Y430 4.96 2 Yes Yes 7 9 1 1
L:L:?1 R:R:Y426 7.17 2 Yes Yes 0 7 0 1
R:R:W427 R:R:Y430 8.68 2 Yes Yes 9 9 2 1
L:L:?1 R:R:C429 5.55 2 Yes No 0 8 0 1
L:L:?1 R:R:Y430 5.12 2 Yes Yes 0 9 0 1
R:R:A194 R:R:W155 1.3 0 No Yes 8 8 2 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub6.00
Average Interaction Strength7.79
Average Nodes In Shell30.00
Average Hubs In Shell17.00
Average Links In Shell51.00
Average Links Mediated by Hubs In Shell49.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
7T90 A Amine Acetylcholine (muscarinic) M2 Homo Sapiens Acetylcholine - chim(NtGi1-Go)/Beta1/Gamma2 3.32 2023-01-25 10.1038/s41467-022-35726-z

A 2D representation of the interactions of ACH in 7T90
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:D103 R:R:I72 2.8 2 Yes Yes 9 8 1 2
R:R:I72 R:R:S107 3.1 0 Yes No 8 8 2 1
R:R:D103 R:R:S76 8.83 2 Yes No 9 8 1 2
R:R:S76 R:R:Y430 5.09 2 No Yes 8 9 2 1
R:R:M77 R:R:Y430 5.99 0 No Yes 9 9 2 1
R:R:Y426 R:R:Y80 6.95 2 Yes Yes 7 8 1 2
R:R:W427 R:R:Y80 4.82 2 Yes Yes 9 8 2 2
R:R:Y430 R:R:Y80 2.98 2 Yes Yes 9 8 1 2
R:R:D103 R:R:Y430 10.34 2 Yes Yes 9 9 1 1
L:L:?1 R:R:D103 5.93 2 Yes Yes 0 9 0 1
R:R:W155 R:R:Y104 12.54 2 Yes Yes 8 8 1 1
R:R:I159 R:R:Y104 2.42 2 Yes Yes 8 8 2 1
R:R:I178 R:R:Y104 8.46 2 Yes Yes 7 8 2 1
R:R:F181 R:R:Y104 7.22 2 No Yes 5 8 2 1
R:R:Y104 R:R:Y403 3.97 2 Yes Yes 8 8 1 1
R:R:Y104 R:R:Y426 2.98 2 Yes Yes 8 7 1 1
L:L:?1 R:R:Y104 7.17 2 Yes Yes 0 8 0 1
L:L:?1 R:R:S107 7.87 2 Yes No 0 8 0 1
R:R:N108 R:R:W155 7.91 0 Yes Yes 9 8 2 1
R:R:V111 R:R:W400 3.68 0 No Yes 9 9 2 1
R:R:I159 R:R:W155 2.35 2 Yes Yes 8 8 2 1
R:R:T190 R:R:W155 10.92 0 No Yes 9 8 2 1
L:L:?1 R:R:W155 3.98 2 Yes Yes 0 8 0 1
R:R:I159 R:R:I178 11.77 2 Yes Yes 8 7 2 2
R:R:F181 R:R:Y403 5.16 2 No Yes 5 8 2 1
R:R:F195 R:R:F396 3.22 2 Yes Yes 9 9 2 2
R:R:F195 R:R:W400 5.01 2 Yes Yes 9 9 2 1
R:R:F396 R:R:W400 6.01 2 Yes Yes 9 9 2 1
R:R:F396 R:R:N432 4.83 2 Yes No 9 9 2 2
R:R:T399 R:R:W400 6.06 0 No Yes 9 9 2 1
R:R:N432 R:R:W400 5.65 2 No Yes 9 9 2 1
L:L:?1 R:R:W400 9.95 2 Yes Yes 0 9 0 1
R:R:V407 R:R:Y403 8.83 0 No Yes 8 8 2 1
R:R:Y403 R:R:Y426 3.97 2 Yes Yes 8 7 1 1
R:R:C429 R:R:Y403 4.03 2 No Yes 8 8 1 1
L:L:?1 R:R:Y403 4.1 2 Yes Yes 0 8 0 1
R:R:W422 R:R:Y426 8.68 0 No Yes 6 7 2 1
R:R:Y426 R:R:Y430 2.98 2 Yes Yes 7 9 1 1
L:L:?1 R:R:Y426 8.2 2 Yes Yes 0 7 0 1
R:R:W427 R:R:Y430 3.86 2 Yes Yes 9 9 2 1
L:L:?1 R:R:C429 6.93 2 Yes No 0 8 0 1
L:L:?1 R:R:Y430 15.37 2 Yes Yes 0 9 0 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub7.00
Average Interaction Strength7.72
Average Nodes In Shell27.00
Average Hubs In Shell16.00
Average Links In Shell42.00
Average Links Mediated by Hubs In Shell42.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
7T94 A Amine Acetylcholine (muscarinic) M2 Homo Sapiens Acetylcholine PubChem 57664406 chim(NtGi1-Go)/Beta1/Gamma2 3.16 2023-01-25 10.1038/s41467-022-35726-z

A 2D representation of the interactions of ACH in 7T94
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:I72 R:R:S76 4.64 1 No Yes 8 8 2 2
R:R:I72 R:R:Y430 8.46 1 No Yes 8 9 2 1
R:R:D103 R:R:S76 4.42 1 Yes Yes 9 8 1 2
R:R:S76 R:R:Y430 10.17 1 Yes Yes 8 9 2 1
R:R:M77 R:R:W427 3.49 1 Yes Yes 9 9 2 2
R:R:M77 R:R:Y430 8.38 1 Yes Yes 9 9 2 1
R:R:Y426 R:R:Y80 13.9 1 Yes Yes 7 8 1 2
R:R:W427 R:R:Y80 4.82 1 Yes Yes 9 8 2 2
R:R:Y80 W:W:?1 7.76 1 Yes Yes 8 0 2 2
R:R:D103 R:R:S107 2.94 1 Yes No 9 8 1 1
R:R:D103 R:R:Y426 2.3 1 Yes Yes 9 7 1 1
R:R:D103 R:R:Y430 3.45 1 Yes Yes 9 9 1 1
L:L:?1 R:R:D103 11.86 1 Yes Yes 0 9 0 1
R:R:W155 R:R:Y104 13.5 1 Yes Yes 8 8 1 1
R:R:I159 R:R:Y104 4.84 1 Yes Yes 8 8 2 1
R:R:Y104 R:R:Y403 5.96 1 Yes Yes 8 8 1 1
L:L:?1 R:R:Y104 16.39 1 Yes Yes 0 8 0 1
L:L:?1 R:R:S107 13.12 1 Yes No 0 8 0 1
R:R:N108 R:R:W155 7.91 0 No Yes 9 8 2 1
R:R:F396 R:R:V111 5.24 1 Yes Yes 9 9 2 2
R:R:V111 R:R:W400 4.9 1 Yes Yes 9 9 2 1
R:R:L154 R:R:W155 2.28 0 No Yes 8 8 2 1
R:R:T190 R:R:W155 8.49 0 No Yes 9 8 2 1
R:R:A194 R:R:W155 2.59 1 No Yes 8 8 1 1
L:L:?1 R:R:W155 1.99 1 Yes Yes 0 8 0 1
L:L:?1 R:R:A194 2.75 1 Yes No 0 8 0 1
R:R:F195 R:R:F396 5.36 1 Yes Yes 9 9 2 2
R:R:F195 R:R:W400 5.01 1 Yes Yes 9 9 2 1
R:R:F195 R:R:N404 16.92 1 Yes No 9 7 2 2
R:R:F396 R:R:W400 3.01 1 Yes Yes 9 9 2 1
R:R:F396 R:R:N432 3.62 1 Yes Yes 9 9 2 2
R:R:T399 R:R:W400 6.06 1 No Yes 9 9 2 1
R:R:N432 R:R:T399 13.16 1 Yes No 9 9 2 2
R:R:N404 R:R:W400 2.26 1 No Yes 7 9 2 1
R:R:C429 R:R:W400 3.92 1 No Yes 8 9 1 1
R:R:N432 R:R:W400 9.04 1 Yes Yes 9 9 2 1
L:L:?1 R:R:W400 9.95 1 Yes Yes 0 9 0 1
R:R:N404 R:R:Y403 6.98 1 No Yes 7 8 2 1
R:R:V407 R:R:Y403 6.31 0 No Yes 8 8 2 1
R:R:C429 R:R:Y403 2.69 1 No Yes 8 8 1 1
L:L:?1 R:R:Y403 11.27 1 Yes Yes 0 8 0 1
R:R:Y426 R:R:Y430 6.95 1 Yes Yes 7 9 1 1
L:L:?1 R:R:Y426 8.2 1 Yes Yes 0 7 0 1
R:R:Y426 W:W:?1 6.03 1 Yes Yes 7 0 1 2
R:R:W427 R:R:Y430 5.79 1 Yes Yes 9 9 2 1
L:L:?1 R:R:C429 4.16 1 Yes No 0 8 0 1
L:L:?1 R:R:Y430 3.07 1 Yes Yes 0 9 0 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub7.00
Average Interaction Strength8.28
Average Nodes In Shell28.00
Average Hubs In Shell18.00
Average Links In Shell47.00
Average Links Mediated by Hubs In Shell47.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
7TRS A Amine Acetylcholine (muscarinic) M4 Homo sapiens Acetylcholine - Gi1/Beta1/Gamma2 2.8 2023-05-17 10.2139/ssrn.4034884

A 2D representation of the interactions of ACH in 7TRS
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:I81 R:R:S85 6.19 3 Yes No 9 9 2 2
R:R:I81 R:R:S116 4.64 3 Yes No 9 8 2 1
R:R:I81 R:R:Y443 4.84 3 Yes Yes 9 9 2 1
R:R:D112 R:R:S85 10.31 3 Yes No 9 9 1 2
R:R:S85 R:R:Y443 6.36 3 No Yes 9 9 2 1
R:R:M86 R:R:W440 6.98 3 Yes Yes 9 9 2 2
R:R:M86 R:R:Y443 8.38 3 Yes Yes 9 9 2 1
R:R:Y439 R:R:Y89 25.81 3 Yes Yes 7 8 1 2
R:R:D112 R:R:S116 2.94 3 Yes No 9 8 1 1
R:R:D112 R:R:Y439 3.45 3 Yes Yes 9 7 1 1
R:R:D112 R:R:Y443 10.34 3 Yes Yes 9 9 1 1
L:L:?1 R:R:D112 7.12 3 Yes Yes 0 9 0 1
R:R:W164 R:R:Y113 20.26 3 Yes Yes 8 9 1 1
R:R:I168 R:R:Y113 3.63 3 Yes Yes 8 9 2 1
R:R:I187 R:R:Y113 8.46 3 Yes Yes 7 9 2 1
R:R:Y113 R:R:Y416 6.95 3 Yes Yes 9 9 1 1
R:R:Y113 R:R:Y439 7.94 3 Yes Yes 9 7 1 1
L:L:?1 R:R:Y113 19.46 3 Yes Yes 0 9 0 1
L:L:?1 R:R:S116 7.87 3 Yes No 0 8 0 1
R:R:L163 R:R:N117 4.12 3 No No 8 9 2 2
R:R:N117 R:R:W164 6.78 3 No Yes 9 8 2 1
R:R:F409 R:R:V120 5.24 3 Yes No 9 9 2 2
R:R:V120 R:R:W413 4.9 3 No Yes 9 9 2 1
R:R:L163 R:R:W164 5.69 3 No Yes 8 8 2 1
R:R:I168 R:R:W164 4.7 3 Yes Yes 8 8 2 1
R:R:F189 R:R:W164 3.01 0 Yes Yes 8 8 2 1
R:R:T199 R:R:W164 6.06 0 No Yes 9 8 2 1
L:L:?1 R:R:W164 11.94 3 Yes Yes 0 8 0 1
R:R:I168 R:R:I187 2.94 3 Yes Yes 8 7 2 2
R:R:F189 R:R:I187 7.54 0 Yes Yes 8 7 2 2
L:L:?1 R:R:A203 4.13 3 Yes No 0 9 0 1
R:R:F204 R:R:F409 4.29 3 Yes Yes 9 9 2 2
R:R:F204 R:R:W413 7.02 3 Yes Yes 9 9 2 1
R:R:F204 R:R:N417 20.54 3 Yes No 9 9 2 2
R:R:F409 R:R:W413 9.02 3 Yes Yes 9 9 2 1
R:R:F409 R:R:N445 3.62 3 Yes Yes 9 9 2 2
R:R:T412 R:R:W413 4.85 3 Yes Yes 9 9 2 1
R:R:N445 R:R:T412 8.77 3 Yes Yes 9 9 2 2
R:R:N445 R:R:W413 7.91 3 Yes Yes 9 9 2 1
L:L:?1 R:R:W413 12.94 3 Yes Yes 0 9 0 1
R:R:N417 R:R:Y416 4.65 3 No Yes 9 9 2 1
R:R:V420 R:R:Y416 6.31 0 No Yes 8 9 2 1
R:R:Y416 R:R:Y439 2.98 3 Yes Yes 9 7 1 1
R:R:C442 R:R:Y416 4.03 3 No Yes 9 9 1 1
L:L:?1 R:R:Y416 12.29 3 Yes Yes 0 9 0 1
R:R:Y439 R:R:Y443 3.97 3 Yes Yes 7 9 1 1
L:L:?1 R:R:Y439 16.39 3 Yes Yes 0 7 0 1
R:R:W440 R:R:Y443 3.86 3 Yes Yes 9 9 2 1
L:L:?1 R:R:C442 9.71 3 Yes No 0 9 0 1
L:L:?1 R:R:Y443 4.1 3 Yes Yes 0 9 0 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub7.00
Average Interaction Strength10.59
Average Nodes In Shell29.00
Average Hubs In Shell19.00
Average Links In Shell50.00
Average Links Mediated by Hubs In Shell49.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
StatisticsValue
Average Number Of Links9.50
Average Number Of Links With An Hub6.75
Average Interaction Strength8.60
Average Nodes In Shell28.50
Average Hubs In Shell17.50
Average Links In Shell47.50
Average Links Mediated by Hubs In Shell46.75

missing image


Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

missing image


Location of the nodes interacting with this ligand

(Click to enlarge 🔍)