CodeAWY
NameAgomelatine
Synonyms
  • Agomelatina
  • Agomelatine
Identifier~{N}-[2-(7-methoxynaphthalen-1-yl)ethyl]ethanamide
FormulaC15 H17 N O2
Molecular Weight243.301
SMILESCC(=O)NCCc1cccc2c1cc(cc2)OC
PubChem82148
Formal Charge0
Total Atoms35
Total Chiral Atoms0
Total Bonds36
Total Aromatic Bonds11
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
6ME5 A Melatonin Melatonin MT1 Homo sapiens Agomelatine - - 3.2 2019-04-24 10.1038/s41586-019-1141-3

A 2D representation of the interactions of AWY in 6ME5
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
L:L:?1 R:R:G108 8.68 3 Yes No 0 4 0 1
R:R:N162 R:R:T167 5.85 3 Yes No 4 4 1 2
R:R:L168 R:R:N162 5.49 0 No Yes 5 4 2 1
R:R:F179 R:R:N162 8.46 3 Yes Yes 4 4 1 1
L:L:?1 R:R:N162 5.81 3 Yes Yes 0 4 0 1
R:R:F179 R:R:T167 10.38 3 Yes No 4 4 1 2
R:R:T178 R:R:Y281 11.24 0 No Yes 4 5 1 2
L:L:?1 R:R:T178 6.23 3 Yes No 0 4 0 1
R:R:F179 R:R:T188 5.19 3 Yes No 4 5 1 2
L:L:?1 R:R:F179 33.99 3 Yes Yes 0 4 0 1
R:R:G258 R:R:Q181 8.22 0 No No 4 3 2 1
R:R:Q181 R:R:V261 5.73 0 No No 3 3 1 2
L:L:?1 R:R:Q181 6.75 3 Yes No 0 3 0 1
L:L:?1 R:R:V191 10.08 3 Yes No 0 5 0 1
R:R:L254 R:R:Y281 8.21 0 No Yes 6 5 1 2
L:L:?1 R:R:L254 7.02 3 Yes No 0 6 0 1
R:R:N162 R:R:Y187 3.49 3 Yes No 4 6 1 2
StatisticsValue
Average Number Of Links7.00
Average Number Of Links With An Hub2.00
Average Interaction Strength11.22
Average Nodes In Shell15.00
Average Hubs In Shell4.00
Average Links In Shell17.00
Average Links Mediated by Hubs In Shell15.00
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 Links7.00
Average Number Of Links With An Hub2.00
Average Interaction Strength11.22
Average Nodes In Shell15.00
Average Hubs In Shell4.00
Average Links In Shell17.00
Average Links Mediated by Hubs In Shell15.00

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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 🔍)