CodeW58
Name5-(3-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,3,6-tetrahydropyridine
Synonyms
Identifier5-(3-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,3,6-tetrahydropyridine
FormulaC13 H15 N
Molecular Weight185.265
SMILESc1cc2c(cc1C3=CCCNC3)CC2
PubChem164946676
Formal Charge0
Total Atoms29
Total Chiral Atoms0
Total Bonds31
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
7W7E A Amine Adrenergic Alpha2A Homo sapiens W58 - Go/Beta1/Gamma2 3.4 2022-09-28 10.1126/science.abn7065

A 2D representation of the interactions of W58 in 7W7E
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:S105 R:R:V101 3.23 2 Yes Yes 8 8 2 2
R:R:D128 R:R:V101 4.38 2 No Yes 8 8 1 2
R:R:V101 R:R:Y431 6.31 2 Yes Yes 8 8 2 1
R:R:I102 R:R:Y431 2.42 0 No Yes 8 8 2 1
R:R:F427 R:R:S105 5.28 2 Yes Yes 7 8 1 2
R:R:S105 R:R:Y431 6.36 2 Yes Yes 8 8 2 1
R:R:D128 R:R:Y431 8.05 2 No Yes 8 8 1 1
L:L:?1 R:R:D128 16.56 2 Yes No 0 8 0 1
R:R:T133 R:R:V129 3.17 2 Yes No 8 8 1 1
R:R:S180 R:R:V129 6.46 0 No No 8 8 2 1
L:L:?1 R:R:V129 13.98 2 Yes No 0 8 0 1
R:R:C132 R:R:W402 3.92 2 No Yes 7 9 1 1
L:L:?1 R:R:C132 7.45 2 Yes No 0 7 0 1
R:R:I179 R:R:T133 3.04 0 No Yes 8 8 2 1
R:R:S219 R:R:T133 7.99 2 No Yes 8 8 1 1
L:L:?1 R:R:T133 4.15 2 Yes Yes 0 8 0 1
R:R:I136 R:R:W402 14.09 0 No Yes 9 9 2 1
R:R:F406 R:R:I136 2.51 2 Yes No 8 9 1 2
R:R:I179 R:R:S215 3.1 0 No No 8 9 2 1
R:R:D207 R:R:I205 4.2 2 No No 5 7 2 1
R:R:I205 R:R:Y409 7.25 2 No Yes 7 8 1 1
L:L:?1 R:R:I205 2.68 2 Yes No 0 7 0 1
R:R:D207 R:R:Y409 5.75 2 No Yes 5 8 2 1
R:R:S215 R:R:Y211 8.9 0 No Yes 9 8 1 2
L:L:?1 R:R:S215 7.05 2 Yes No 0 9 0 1
R:R:C216 R:R:F406 2.79 0 No Yes 7 8 2 1
R:R:F406 R:R:S219 2.64 2 Yes No 8 8 1 1
L:L:?1 R:R:S219 4.23 2 Yes No 0 8 0 1
R:R:F220 R:R:W402 5.01 2 Yes Yes 9 9 2 1
R:R:F220 R:R:F406 15 2 Yes Yes 9 8 2 1
R:R:G430 R:R:W402 7.04 0 No Yes 8 9 2 1
R:R:N433 R:R:W402 9.04 0 No Yes 9 9 2 1
L:L:?1 R:R:W402 3.21 2 Yes Yes 0 9 0 1
R:R:F405 R:R:Y409 7.22 2 No Yes 8 8 1 1
L:L:?1 R:R:F405 11.43 2 Yes No 0 8 0 1
L:L:?1 R:R:F406 9.15 2 Yes Yes 0 8 0 1
L:L:?1 R:R:Y409 4.4 2 Yes Yes 0 8 0 1
R:R:F427 R:R:W428 11.02 2 Yes No 7 7 1 2
R:R:F427 R:R:Y431 16.5 2 Yes Yes 7 8 1 1
L:L:?1 R:R:F427 6.86 2 Yes Yes 0 7 0 1
L:L:?1 R:R:Y431 8.8 2 Yes Yes 0 8 0 1
R:R:F405 R:R:F426 2.14 2 No Yes 8 7 1 2
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub6.00
Average Interaction Strength7.69
Average Nodes In Shell28.00
Average Hubs In Shell12.00
Average Links In Shell42.00
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 Links13.00
Average Number Of Links With An Hub6.00
Average Interaction Strength7.69
Average Nodes In Shell28.00
Average Hubs In Shell12.00
Average Links In Shell42.00
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 🔍)