CodeOIN
NameAtropine
Synonyms(±)-atropine
Identifier[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenyl-propanoate
FormulaC17 H23 N O3
Molecular Weight289.369
SMILESCN1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c3ccccc3
PubChem
Formal Charge0
Total Atoms44
Total Chiral Atoms3
Total Bonds46
Total Aromatic Bonds6
Networks1
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This ligand is also present in the following network:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
6WJC A Amine Acetylcholine (muscarinic) M1 Homo sapiens Atropine Muscarinic toxin 7 - 2.55 2020-07-08 10.1126/science.aax2517

A 2D representation of the interactions of OIN in 6WJC
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:D105 R:R:S78 11.78 1 No No 9 8 1 2
R:R:S78 R:R:Y408 3.82 1 No Yes 8 8 2 2
R:R:Y404 R:R:Y82 12.91 1 Yes Yes 7 7 1 2
R:R:Y408 R:R:Y82 5.96 1 Yes Yes 8 7 2 2
R:R:Y82 W:W:R55 9.26 1 Yes Yes 7 0 2 2
R:R:D105 R:R:Y408 10.34 1 No Yes 9 8 1 2
L:L:?506 R:R:D105 10.88 1 Yes No 0 9 0 1
R:R:W157 R:R:Y106 11.58 0 No Yes 8 8 2 1
R:R:I161 R:R:Y106 3.63 1 No Yes 7 8 2 1
R:R:I180 R:R:Y106 9.67 1 Yes Yes 7 8 2 1
L:L:?506 R:R:Y106 11.96 1 Yes Yes 0 8 0 1
R:R:S109 R:R:W378 4.94 1 No Yes 8 8 1 1
L:L:?506 R:R:S109 8.75 1 Yes No 0 8 0 1
R:R:Q110 R:R:V113 4.3 0 Yes No 8 9 1 2
R:R:M114 R:R:Q110 8.16 0 No Yes 7 8 2 1
R:R:Q110 R:R:S153 5.78 0 Yes No 8 8 1 2
R:R:Q110 R:R:W157 9.86 0 Yes No 8 8 1 2
L:L:?506 R:R:Q110 4.85 1 Yes Yes 0 8 0 1
R:R:R112 R:R:W378 6 1 Yes Yes 9 8 2 1
R:R:N410 R:R:R112 12.05 1 Yes Yes 9 9 2 2
R:R:I161 R:R:I180 7.36 1 No Yes 7 7 2 2
L:L:?506 R:R:A196 8.04 1 Yes No 0 8 0 1
R:R:F197 R:R:F374 4.29 1 Yes Yes 9 9 2 2
R:R:F197 R:R:W378 6.01 1 Yes Yes 9 8 2 1
R:R:F197 R:R:N382 25.37 1 Yes No 9 8 2 1
R:R:F374 R:R:W378 21.05 1 Yes Yes 9 8 2 1
R:R:F374 R:R:N410 4.83 1 Yes Yes 9 9 2 2
R:R:T377 R:R:W378 4.85 1 No Yes 8 8 2 1
R:R:N410 R:R:T377 7.31 1 Yes No 9 8 2 2
R:R:C407 R:R:W378 14.37 1 No Yes 8 8 1 1
R:R:N410 R:R:W378 7.91 1 Yes Yes 9 8 2 1
L:L:?506 R:R:W378 14.11 1 Yes Yes 0 8 0 1
R:R:W400 R:R:Y381 6.75 1 Yes No 7 8 2 1
R:R:Y381 R:R:Y404 6.95 1 No Yes 8 7 1 1
L:L:?506 R:R:Y381 11.96 1 Yes No 0 8 0 1
L:L:?506 R:R:N382 11.01 1 Yes No 0 8 0 1
R:R:Y404 R:R:Y408 6.95 1 Yes Yes 7 8 1 2
R:R:Y404 W:W:R55 9.26 1 Yes Yes 7 0 1 2
L:L:?506 R:R:Y404 13.67 1 Yes Yes 0 7 0 1
L:L:?506 R:R:C407 4.63 1 Yes No 0 8 0 1
R:R:N382 R:R:V385 2.96 0 No No 8 8 1 2
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub4.00
Average Interaction Strength9.99
Average Nodes In Shell28.00
Average Hubs In Shell14.00
Average Links In Shell41.00
Average Links Mediated by Hubs In Shell39.00
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 Links10.00
Average Number Of Links With An Hub4.00
Average Interaction Strength9.99
Average Nodes In Shell28.00
Average Hubs In Shell14.00
Average Links In Shell41.00
Average Links Mediated by Hubs In Shell39.00

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Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

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Location of the nodes interacting with this ligand

(Click to enlarge 🔍)