CodeJEY
NameN-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide
Synonyms2-phenylmelatonin
Identifier~{N}-[2-(5-methoxy-2-phenyl-1~{H}-indol-3-yl)ethyl]ethanamide
FormulaC19 H20 N2 O2
Molecular Weight308.374
SMILESCC(=O)NCCc1c2cc(ccc2[nH]c1c3ccccc3)OC
PubChem4018512
Formal Charge0
Total Atoms43
Total Chiral Atoms0
Total Bonds45
Total Aromatic Bonds16
Networks5
 missing image

This ligand is also present in the following 5 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
6ME3 A Melatonin Melatonin MT1 Homo sapiens 2-Phenylmelatonin - - 2.9 2019-04-24 10.1038/s41586-019-1141-3

A 2D representation of the interactions of JEY in 6ME3
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:Y285 R:R:Y81 12.91 0 Yes Yes 6 7 1 2
R:R:M107 R:R:Y285 5.99 0 No Yes 6 6 2 1
R:R:G108 R:R:V159 3.68 0 No No 4 7 1 2
L:L:?1 R:R:G108 8.64 2 Yes No 0 4 0 1
R:R:F251 R:R:V111 9.18 0 Yes No 8 7 2 1
L:L:?1 R:R:V111 7.52 2 Yes No 0 7 0 1
R:R:N162 R:R:T167 5.85 2 Yes No 4 4 1 2
R:R:L168 R:R:N162 4.12 0 No Yes 5 4 2 1
R:R:F179 R:R:N162 6.04 2 Yes Yes 4 4 1 1
R:R:N162 R:R:Y187 4.65 2 Yes Yes 4 6 1 2
L:L:?1 R:R:N162 8.92 2 Yes Yes 0 4 0 1
R:R:F179 R:R:T167 9.08 2 Yes No 4 4 1 2
R:R:I174 R:R:S176 4.64 2 Yes No 1 4 2 2
R:R:F277 R:R:I174 3.77 2 Yes Yes 3 1 2 2
R:R:I174 R:R:Y281 13.3 2 Yes Yes 1 5 2 1
R:R:S176 R:R:Y285 5.09 0 No Yes 4 6 2 1
R:R:T178 R:R:Y281 8.74 2 No Yes 4 5 1 1
L:L:?1 R:R:T178 5.32 2 Yes No 0 4 0 1
R:R:F179 R:R:T188 5.19 2 Yes No 4 5 1 2
L:L:?1 R:R:F179 22.85 2 Yes Yes 0 4 0 1
R:R:Q181 R:R:T188 4.25 0 Yes No 3 5 1 2
R:R:G258 R:R:Q181 6.58 0 No Yes 4 3 2 1
R:R:Q181 R:R:V261 5.73 0 Yes No 3 3 1 2
L:L:?1 R:R:Q181 6.72 2 Yes Yes 0 3 0 1
L:L:?1 R:R:V191 5.37 2 Yes No 0 5 0 1
R:R:L254 R:R:S280 4.5 2 No No 6 7 1 2
R:R:L254 R:R:Y281 8.21 2 No Yes 6 5 1 1
L:L:?1 R:R:L254 11.98 2 Yes No 0 6 0 1
R:R:F277 R:R:Y281 8.25 2 Yes Yes 3 5 2 1
L:L:?1 R:R:Y281 5.92 2 Yes Yes 0 5 0 1
R:R:Y282 R:R:Y285 7.94 0 Yes Yes 5 6 2 1
L:L:?1 R:R:Y285 4.23 2 Yes Yes 0 6 0 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub5.00
Average Interaction Strength8.75
Average Nodes In Shell26.00
Average Hubs In Shell12.00
Average Links In Shell32.00
Average Links Mediated by Hubs In Shell30.00
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
6ME6 A Melatonin Melatonin MT2 Homo sapiens 2-Phenylmelatonin - - 2.8 2019-04-24 10.1038/s41586-019-1144-0

A 2D representation of the interactions of JEY in 6ME6
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:L47 R:R:Y94 5.86 1 Yes Yes 6 7 2 2
R:R:L47 R:R:Y298 4.69 1 Yes Yes 6 7 2 1
R:R:P93 R:R:V89 7.07 1 Yes Yes 6 7 2 2
R:R:V89 R:R:Y94 10.09 1 Yes Yes 7 7 2 2
R:R:M120 R:R:V89 4.56 1 Yes Yes 5 7 1 2
R:R:M120 R:R:P93 10.06 1 Yes Yes 5 6 1 2
R:R:Y298 R:R:Y94 10.92 1 Yes Yes 7 7 1 2
R:R:M120 R:R:Y298 5.99 1 Yes Yes 5 7 1 1
L:L:?1 R:R:M120 5.1 1 Yes Yes 0 5 0 1
L:L:?1 R:R:G121 8.64 1 Yes No 0 4 0 1
R:R:F264 R:R:V124 9.18 1 Yes No 8 7 1 1
L:L:?1 R:R:V124 11.82 1 Yes No 0 7 0 1
R:R:I125 R:R:T168 6.08 0 Yes No 7 7 1 2
R:R:I125 R:R:L172 5.71 0 Yes No 7 7 1 2
R:R:H208 R:R:I125 5.3 0 Yes Yes 5 7 2 1
L:L:?1 R:R:I125 5.15 1 Yes Yes 0 7 0 1
R:R:P174 R:R:Y200 19.47 0 No Yes 7 6 2 1
R:R:N175 R:R:S180 7.45 1 Yes Yes 5 4 1 2
R:R:L181 R:R:N175 10.98 0 No Yes 3 5 2 1
R:R:F192 R:R:N175 7.25 1 Yes Yes 4 5 1 1
R:R:N175 R:R:Y200 15.12 1 Yes Yes 5 6 1 1
L:L:?1 R:R:N175 9.91 1 Yes Yes 0 5 0 1
R:R:F192 R:R:S180 5.28 1 Yes Yes 4 4 1 2
R:R:I187 R:R:S189 7.74 1 Yes No 1 4 2 2
R:R:F290 R:R:I187 7.54 1 No Yes 4 1 2 2
R:R:I187 R:R:Y294 12.09 1 Yes Yes 1 5 2 1
R:R:S189 R:R:Y298 6.36 0 No Yes 4 7 2 1
R:R:T191 R:R:Y294 11.24 1 No Yes 4 5 1 1
L:L:?1 R:R:T191 4.25 1 Yes No 0 4 0 1
R:R:F192 R:R:Y200 5.16 1 Yes Yes 4 6 1 1
R:R:F192 R:R:T201 6.49 1 Yes No 4 4 1 2
L:L:?1 R:R:F192 22.85 1 Yes Yes 0 4 0 1
R:R:G271 R:R:Q194 4.93 0 No No 4 4 2 1
R:R:Q194 R:R:V274 4.3 0 No No 4 3 1 2
L:L:?1 R:R:Q194 4.8 1 Yes No 0 4 0 1
R:R:V204 R:R:Y200 6.31 1 No Yes 5 6 1 1
L:L:?1 R:R:Y200 5.07 1 Yes Yes 0 6 0 1
L:L:?1 R:R:V204 4.3 1 Yes No 0 5 0 1
R:R:F260 R:R:F264 15 1 Yes Yes 9 8 2 1
R:R:F260 R:R:N300 7.25 1 Yes No 9 9 2 2
R:R:A297 R:R:F264 4.16 0 No Yes 7 8 2 1
R:R:F264 R:R:N300 4.83 1 Yes No 8 9 1 2
L:L:?1 R:R:F264 3.51 1 Yes Yes 0 8 0 1
R:R:L267 R:R:S293 4.5 1 No No 6 5 1 2
R:R:L267 R:R:Y294 9.38 1 No Yes 6 5 1 1
L:L:?1 R:R:L267 7.99 1 Yes No 0 6 0 1
R:R:F290 R:R:Y294 6.19 1 No Yes 4 5 2 1
R:R:Y294 R:R:Y298 7.94 1 Yes Yes 5 7 1 1
L:L:?1 R:R:Y294 10.15 1 Yes Yes 0 5 0 1
L:L:?1 R:R:Y298 3.38 1 Yes Yes 0 7 0 1
R:R:F209 R:R:F264 3.22 0 No Yes 8 8 2 1
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub8.00
Average Interaction Strength7.64
Average Nodes In Shell36.00
Average Hubs In Shell17.00
Average Links In Shell51.00
Average Links Mediated by Hubs In Shell48.00
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
6ME7 A Melatonin Melatonin MT2 Homo sapiens 2-Phenylmelatonin - - 3.2 2019-04-24 10.1038/s41586-019-1144-0

A 2D representation of the interactions of JEY in 6ME7
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:M120 R:R:P93 5.03 1 No Yes 5 6 1 2
R:R:Y298 R:R:Y94 10.92 1 Yes Yes 7 7 1 2
R:R:F118 R:R:L122 4.87 1 No No 6 5 2 2
R:R:F118 R:R:L172 9.74 1 No Yes 6 7 2 1
R:R:M120 R:R:Y298 8.38 1 No Yes 5 7 1 1
L:L:?1 R:R:M120 7.14 1 Yes No 0 5 0 1
L:L:?1 R:R:G121 8.64 1 Yes No 0 4 0 1
R:R:L122 R:R:L172 4.15 1 No Yes 5 7 2 1
R:R:F264 R:R:V124 7.87 7 Yes No 8 7 2 1
L:L:?1 R:R:V124 8.6 1 Yes No 0 7 0 1
R:R:I125 R:R:L172 4.28 0 No Yes 7 7 2 1
L:L:?1 R:R:L172 4.99 1 Yes Yes 0 7 0 1
R:R:N175 R:R:S180 5.96 1 Yes Yes 5 4 1 2
R:R:L181 R:R:N175 12.36 0 No Yes 3 5 2 1
R:R:F192 R:R:N175 4.83 1 Yes Yes 4 5 1 1
R:R:N175 R:R:Y200 13.96 1 Yes No 5 6 1 2
L:L:?1 R:R:N175 7.93 1 Yes Yes 0 5 0 1
R:R:F192 R:R:S180 5.28 1 Yes Yes 4 4 1 2
R:R:I187 R:R:S189 7.74 1 Yes No 1 4 2 2
R:R:I187 R:R:T191 4.56 1 Yes No 1 4 2 1
R:R:F290 R:R:I187 5.02 1 Yes Yes 4 1 2 2
R:R:I187 R:R:Y294 13.3 1 Yes Yes 1 5 2 1
R:R:S189 R:R:Y298 6.36 0 No Yes 4 7 2 1
R:R:T191 R:R:Y294 11.24 1 No Yes 4 5 1 1
L:L:?1 R:R:T191 4.25 1 Yes No 0 4 0 1
R:R:F192 R:R:T201 9.08 1 Yes No 4 4 1 2
L:L:?1 R:R:F192 23.73 1 Yes Yes 0 4 0 1
R:R:Q194 R:R:T201 4.25 0 Yes No 4 4 1 2
R:R:I270 R:R:Q194 5.49 0 No Yes 4 4 2 1
R:R:G271 R:R:Q194 6.58 0 No Yes 4 4 2 1
R:R:Q194 R:R:V274 5.73 0 Yes No 4 3 1 2
L:L:?1 R:R:Q194 4.8 1 Yes Yes 0 4 0 1
R:R:N268 R:R:V205 7.39 0 No No 7 5 1 2
R:R:F209 R:R:N268 20.54 0 No No 8 7 2 1
R:R:L267 R:R:Y294 4.69 1 No Yes 6 5 1 1
L:L:?1 R:R:L267 11.98 1 Yes No 0 6 0 1
L:L:?1 R:R:N268 3.96 1 Yes No 0 7 0 1
R:R:F290 R:R:Y294 6.19 1 Yes Yes 4 5 2 1
R:R:Y294 R:R:Y298 7.94 1 Yes Yes 5 7 1 1
L:L:?1 R:R:Y294 14.38 1 Yes Yes 0 5 0 1
L:L:?1 R:R:Y298 4.23 1 Yes Yes 0 7 0 1
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub6.00
Average Interaction Strength8.72
Average Nodes In Shell31.00
Average Hubs In Shell13.00
Average Links In Shell41.00
Average Links Mediated by Hubs In Shell38.00
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
6ME8 A Melatonin Melatonin MT2 Homo sapiens 2-Phenylmelatonin - - 3.1 2019-04-24 10.1038/s41586-019-1144-0

A 2D representation of the interactions of JEY in 6ME8
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:M120 R:R:P93 8.39 0 No Yes 5 6 1 2
R:R:M120 R:R:Y298 7.18 0 No Yes 5 7 1 2
L:L:?1 R:R:M120 6.12 1 Yes No 0 5 0 1
R:R:G121 R:R:L172 5.13 0 No Yes 4 7 1 2
L:L:?1 R:R:G121 6.17 1 Yes No 0 4 0 1
R:R:F264 R:R:V124 9.18 0 No No 8 7 2 1
L:L:?1 R:R:V124 7.52 1 Yes No 0 7 0 1
R:R:I125 R:R:T168 6.08 0 Yes No 7 7 1 2
R:R:I125 R:R:L172 4.28 0 Yes Yes 7 7 1 2
R:R:H208 R:R:I125 6.63 0 Yes Yes 5 7 2 1
L:L:?1 R:R:I125 4.12 1 Yes Yes 0 7 0 1
R:R:P174 R:R:Y200 16.69 0 No Yes 7 6 2 1
R:R:N175 R:R:S180 5.96 1 Yes Yes 5 4 1 2
R:R:L181 R:R:N175 10.98 0 No Yes 3 5 2 1
R:R:F192 R:R:N175 4.83 1 Yes Yes 4 5 1 1
R:R:N175 R:R:Y200 13.96 1 Yes Yes 5 6 1 1
L:L:?1 R:R:N175 10.9 1 Yes Yes 0 5 0 1
R:R:F192 R:R:S180 5.28 1 Yes Yes 4 4 1 2
R:R:F290 R:R:I187 7.54 1 Yes Yes 4 1 2 2
R:R:I187 R:R:Y294 12.09 1 Yes Yes 1 5 2 1
R:R:T191 R:R:Y294 8.74 0 No Yes 4 5 2 1
R:R:F192 R:R:T201 5.19 1 Yes No 4 4 1 2
L:L:?1 R:R:F192 28.12 1 Yes Yes 0 4 0 1
R:R:I270 R:R:Q194 6.86 0 No Yes 4 4 2 1
R:R:G271 R:R:Q194 6.58 0 No Yes 4 4 2 1
R:R:Q194 R:R:V274 4.3 0 Yes No 4 3 1 2
L:L:?1 R:R:Q194 4.8 1 Yes Yes 0 4 0 1
R:R:V204 R:R:Y200 5.05 1 No Yes 5 6 1 1
L:L:?1 R:R:Y200 5.07 1 Yes Yes 0 6 0 1
L:L:?1 R:R:V204 5.37 1 Yes No 0 5 0 1
R:R:N268 R:R:V205 5.91 0 No No 7 5 1 2
R:R:F209 R:R:N268 24.17 0 No No 8 7 2 1
R:R:L267 R:R:S293 4.5 1 No No 6 5 1 2
R:R:L267 R:R:Y294 8.21 1 No Yes 6 5 1 1
L:L:?1 R:R:L267 10.98 1 Yes No 0 6 0 1
L:L:?1 R:R:N268 3.96 1 Yes No 0 7 0 1
R:R:F290 R:R:Y294 6.19 1 Yes Yes 4 5 2 1
R:R:Y294 R:R:Y298 8.94 1 Yes Yes 5 7 1 2
L:L:?1 R:R:Y294 10.15 1 Yes Yes 0 5 0 1
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub6.00
Average Interaction Strength8.61
Average Nodes In Shell32.00
Average Hubs In Shell14.00
Average Links In Shell39.00
Average Links Mediated by Hubs In Shell35.00
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
6PS8 A Melatonin Melatonin MT1 Homo sapiens 2-Phenylmelatonin - - 3.3 2019-11-13 10.1107/S2052252519013137

A 2D representation of the interactions of JEY in 6PS8
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:Y285 R:R:Y81 10.92 0 Yes Yes 6 7 1 2
R:R:F105 R:R:V159 6.55 0 Yes No 6 7 2 1
R:R:M107 R:R:Y285 8.38 0 No Yes 6 6 2 1
L:L:?1 R:R:G108 7.4 1 Yes No 0 4 0 1
R:R:F251 R:R:V111 9.18 5 Yes No 8 7 2 1
L:L:?1 R:R:V111 5.37 1 Yes No 0 7 0 1
L:L:?1 R:R:V159 4.3 1 Yes No 0 7 0 1
R:R:N162 R:R:T167 5.85 1 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 6.04 1 No Yes 4 4 1 1
R:R:N162 R:R:Y187 4.65 1 Yes Yes 4 6 1 2
L:L:?1 R:R:N162 5.94 1 Yes Yes 0 4 0 1
R:R:F179 R:R:T167 10.38 1 No No 4 4 1 2
R:R:I174 R:R:Y281 10.88 0 No Yes 1 5 2 1
R:R:S176 R:R:Y285 5.09 0 No Yes 4 6 2 1
R:R:T178 R:R:Y281 9.99 1 No Yes 4 5 1 1
L:L:?1 R:R:T178 4.25 1 Yes No 0 4 0 1
L:L:?1 R:R:F179 20.21 1 Yes No 0 4 0 1
R:R:G258 R:R:Q181 6.58 0 No Yes 4 3 2 1
R:R:Q181 R:R:V261 5.73 0 Yes No 3 3 1 2
L:L:?1 R:R:Q181 6.72 1 Yes Yes 0 3 0 1
L:L:?1 R:R:V191 6.45 1 Yes No 0 5 0 1
R:R:L254 R:R:Y281 5.86 1 No Yes 6 5 1 1
L:L:?1 R:R:L254 12.98 1 Yes No 0 6 0 1
R:R:F277 R:R:Y281 5.16 1 No Yes 3 5 2 1
L:L:?1 R:R:Y281 7.61 1 Yes Yes 0 5 0 1
R:R:Y282 R:R:Y285 6.95 0 Yes Yes 5 6 2 1
L:L:?1 R:R:Y285 5.07 1 Yes Yes 0 6 0 1
R:R:Q181 R:R:T188 2.83 0 Yes No 3 5 1 2
R:R:S280 R:R:Y281 2.54 0 No Yes 7 5 2 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub4.00
Average Interaction Strength7.85
Average Nodes In Shell27.00
Average Hubs In Shell10.00
Average Links In Shell30.00
Average Links Mediated by Hubs In Shell29.00
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 Links11.80
Average Number Of Links With An Hub5.80
Average Interaction Strength8.31
Average Nodes In Shell30.40
Average Hubs In Shell13.20
Average Links In Shell38.60
Average Links Mediated by Hubs In Shell36.00

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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 🔍)