CodeJEV
NameRamelteon
SynonymsRamelteon
Identifier~{N}-[2-[(8~{S})-2,6,7,8-tetrahydro-1~{H}-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide
FormulaC16 H21 N O2
Molecular Weight259.343
SMILESCCC(=O)NCC[C@@H]1CCc2c1c3c(cc2)OCC3
PubChem208902
Formal Charge0
Total Atoms40
Total Chiral Atoms1
Total Bonds42
Total Aromatic Bonds6
Networks5
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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
6ME2 A Melatonin Melatonin MT1 Homo sapiens Ramelteon - - 2.8 2019-04-24 10.1038/s41586-019-1141-3

A 2D representation of the interactions of JEV in 6ME2
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:F105 R:R:V159 6.55 0 Yes No 6 7 2 1
L:L:?1 R:R:G108 10.04 3 Yes No 0 4 0 1
R:R:F251 R:R:V111 9.18 0 No No 8 7 2 1
L:L:?1 R:R:V111 5 3 Yes No 0 7 0 1
R:R:N162 R:R:T167 5.85 3 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 4.83 3 Yes Yes 4 4 1 1
L:L:?1 R:R:N162 10.36 3 Yes Yes 0 4 0 1
R:R:F179 R:R:T167 7.78 3 Yes No 4 4 1 2
R:R:F179 R:R:T188 6.49 3 Yes No 4 5 1 2
L:L:?1 R:R:F179 25.53 3 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 Yes 3 3 1 2
L:L:?1 R:R:Q181 11.16 3 Yes Yes 0 3 0 1
L:L:?1 R:R:V191 9.99 3 Yes No 0 5 0 1
R:R:N255 R:R:V192 8.87 0 No No 7 5 1 2
R:R:F196 R:R:N255 24.17 0 No No 8 7 2 1
R:R:L254 R:R:Y281 9.38 0 No Yes 6 5 1 2
L:L:?1 R:R:L254 8.12 3 Yes No 0 6 0 1
L:L:?1 R:R:N255 4.6 3 Yes No 0 7 0 1
L:L:?1 R:R:V159 3.75 3 Yes No 0 7 0 1
R:R:N162 R:R:Y187 3.49 3 Yes Yes 4 6 1 2
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub3.00
Average Interaction Strength9.84
Average Nodes In Shell21.00
Average Hubs In Shell8.00
Average Links In Shell23.00
Average Links Mediated by Hubs In Shell20.00
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
6ME9 A Melatonin Melatonin MT2 Homo sapiens Ramelteon - - 3.3 2019-04-24 10.1038/s41586-019-1144-0

A 2D representation of the interactions of JEV in 6ME9
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:G121 R:R:L172 5.13 0 No No 4 7 1 2
L:L:?1 R:R:G121 7.17 1 Yes No 0 4 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 No 5 4 1 2
R:R:L181 R:R:N175 9.61 0 No Yes 3 5 2 1
R:R:F192 R:R:N175 6.04 1 Yes Yes 4 5 1 1
R:R:N175 R:R:Y200 11.63 1 Yes Yes 5 6 1 1
L:L:?1 R:R:N175 12.66 1 Yes Yes 0 5 0 1
R:R:F192 R:R:S180 5.28 1 Yes No 4 4 1 2
R:R:F192 R:R:Y200 5.16 1 Yes Yes 4 6 1 1
R:R:F192 R:R:T201 3.89 1 Yes No 4 4 1 2
L:L:?1 R:R:F192 38.8 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
L:L:?1 R:R:Q194 7.81 1 Yes Yes 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 4.91 1 Yes Yes 0 6 0 1
L:L:?1 R:R:V204 7.49 1 Yes No 0 5 0 1
R:R:L267 R:R:S293 4.5 0 No No 6 5 1 2
R:R:L267 R:R:Y294 9.38 0 No Yes 6 5 1 2
L:L:?1 R:R:L267 6.96 1 Yes No 0 6 0 1
R:R:Q194 R:R:V274 2.87 0 Yes No 4 3 1 2
R:R:S197 R:R:Y200 2.54 0 No Yes 5 6 2 1
StatisticsValue
Average Number Of Links7.00
Average Number Of Links With An Hub4.00
Average Interaction Strength12.26
Average Nodes In Shell19.00
Average Hubs In Shell6.00
Average Links In Shell23.00
Average Links Mediated by Hubs In Shell21.00
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
7DB6 A Melatonin Melatonin MT1 Homo sapiens Ramelteon - Gi1/Beta1/Gamma2 3.3 2021-08-18 10.1038/s41594-021-00634-1

A 2D representation of the interactions of JEV in 7DB6
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 10.04 10 Yes No 0 4 0 1
R:R:F116 R:R:I112 3.77 0 No Yes 5 6 2 1
R:R:I112 R:R:T155 6.08 10 Yes No 6 8 1 2
R:R:F196 R:R:I112 6.28 10 Yes Yes 8 6 1 1
L:L:?1 R:R:I112 5.98 10 Yes Yes 0 6 0 1
R:R:F196 R:R:I115 8.79 10 Yes Yes 8 7 1 2
R:R:I115 R:R:W251 5.87 10 Yes Yes 7 8 2 1
R:R:L163 R:R:V159 2.98 0 No No 6 7 1 2
R:R:F179 R:R:N162 6.04 10 Yes No 4 4 1 2
R:R:L163 R:R:L168 5.54 0 No No 6 5 1 2
L:L:?1 R:R:L163 10.44 10 Yes No 0 6 0 1
R:R:F179 R:R:Q181 7.03 10 Yes No 4 3 1 1
R:R:F179 R:R:T188 5.19 10 Yes No 4 5 1 2
L:L:?1 R:R:F179 13.27 10 Yes Yes 0 4 0 1
R:R:Q181 R:R:T188 4.25 10 No No 3 5 1 2
L:L:?1 R:R:Q181 10.04 10 Yes No 0 3 0 1
L:L:?1 R:R:V191 9.99 10 Yes No 0 5 0 1
R:R:F196 R:R:W251 9.02 10 Yes Yes 8 8 1 1
R:R:F196 R:R:N255 4.83 10 Yes No 8 7 1 2
L:L:?1 R:R:F196 3.06 10 Yes Yes 0 8 0 1
R:R:L254 R:R:W251 6.83 10 Yes Yes 6 8 1 1
R:R:N255 R:R:W251 6.78 10 No Yes 7 8 2 1
R:R:N287 R:R:W251 5.65 0 Yes Yes 9 8 2 1
L:L:?1 R:R:W251 5.73 10 Yes Yes 0 8 0 1
R:R:L254 R:R:S280 3 10 Yes No 6 7 1 2
R:R:L254 R:R:Y281 4.69 10 Yes Yes 6 5 1 2
L:L:?1 R:R:L254 5.8 10 Yes Yes 0 6 0 1
L:L:?1 R:R:G258 2.87 10 Yes No 0 4 0 1
L:L:?1 R:R:V111 2.5 10 Yes No 0 7 0 1
R:R:G258 R:R:V261 1.84 0 No No 4 3 1 2
R:R:A284 R:R:L254 1.58 0 No Yes 7 6 2 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub5.00
Average Interaction Strength7.25
Average Nodes In Shell25.00
Average Hubs In Shell9.00
Average Links In Shell31.00
Average Links Mediated by Hubs In Shell27.00
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
7VGZ A Melatonin Melatonin MT1 Homo sapiens Remalteon - Gi1/Beta1/Gamma2 3.3 2022-03-02 10.1038/s41467-022-28111-3

A 2D representation of the interactions of JEV in 7VGZ
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 8.6 5 Yes No 0 4 0 1
R:R:V111 R:R:W251 7.36 0 No Yes 7 8 1 2
L:L:?1 R:R:V111 11.24 5 Yes No 0 7 0 1
R:R:F116 R:R:I112 6.28 5 No Yes 5 6 2 1
R:R:I112 R:R:T155 3.04 5 Yes Yes 6 8 1 2
R:R:A158 R:R:I112 3.25 0 No Yes 4 6 2 1
L:L:?1 R:R:I112 8.38 5 Yes Yes 0 6 0 1
R:R:F116 R:R:T155 5.19 5 No Yes 5 8 2 2
R:R:L163 R:R:N162 5.49 0 No Yes 6 4 2 1
R:R:N162 R:R:T167 2.92 0 Yes Yes 4 4 1 2
R:R:N162 R:R:Y187 6.98 0 Yes Yes 4 6 1 2
L:L:?1 R:R:N162 3.45 5 Yes Yes 0 4 0 1
R:R:F179 R:R:T167 3.89 0 Yes Yes 4 4 1 2
R:R:I174 R:R:T178 3.04 5 Yes No 1 4 2 1
R:R:F277 R:R:I174 6.28 5 Yes Yes 3 1 2 2
R:R:I174 R:R:Y281 13.3 5 Yes Yes 1 5 2 1
R:R:T178 R:R:Y281 13.73 5 No Yes 4 5 1 1
L:L:?1 R:R:T178 3.71 5 Yes No 0 4 0 1
R:R:F179 R:R:Y187 7.22 0 Yes Yes 4 6 1 2
R:R:F179 R:R:T188 6.49 0 Yes No 4 5 1 2
L:L:?1 R:R:F179 24.51 5 Yes Yes 0 4 0 1
R:R:F277 R:R:Q181 7.03 5 Yes No 3 3 2 1
R:R:Q181 R:R:Y281 5.64 5 No Yes 3 5 1 1
L:L:?1 R:R:Q181 4.46 5 Yes No 0 3 0 1
R:R:V191 R:R:Y187 3.79 0 No Yes 5 6 1 2
L:L:?1 R:R:V191 8.74 5 Yes No 0 5 0 1
R:R:N255 R:R:V192 8.87 0 No No 7 5 1 2
R:R:F196 R:R:N255 8.46 0 Yes No 8 7 2 1
R:R:A284 R:R:W251 5.19 0 No Yes 7 8 2 2
R:R:L254 R:R:S280 6.01 5 Yes No 6 7 1 2
R:R:L254 R:R:Y281 8.21 5 Yes Yes 6 5 1 1
R:R:A284 R:R:L254 3.15 0 No Yes 7 6 2 1
L:L:?1 R:R:L254 5.8 5 Yes Yes 0 6 0 1
L:L:?1 R:R:N255 4.6 5 Yes No 0 7 0 1
R:R:F277 R:R:Y281 6.19 5 Yes Yes 3 5 2 1
L:L:?1 R:R:Y281 2.95 5 Yes Yes 0 5 0 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub5.00
Average Interaction Strength7.86
Average Nodes In Shell26.00
Average Hubs In Shell13.00
Average Links In Shell36.00
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
7VH0 A Melatonin Melatonin MT2 Homo sapiens Ramelteon - Gi1/Beta1/Gamma1 3.46 2022-03-02 10.1038/s41467-022-28111-3

A 2D representation of the interactions of JEV in 7VH0
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:P93 R:R:V89 8.84 2 Yes Yes 6 7 2 2
R:R:V89 R:R:Y94 11.36 2 Yes Yes 7 7 2 2
R:R:M120 R:R:V89 3.04 2 Yes Yes 5 7 1 2
R:R:M120 R:R:P93 3.35 2 Yes Yes 5 6 1 2
R:R:M120 R:R:Y94 2.39 2 Yes Yes 5 7 1 2
R:R:F118 R:R:L172 10.96 0 No No 6 7 2 1
R:R:M120 R:R:V124 3.04 2 Yes Yes 5 7 1 2
L:L:?1 R:R:M120 3.56 2 Yes Yes 0 5 0 1
L:L:?1 R:R:G121 5.74 2 Yes No 0 4 0 1
R:R:V124 R:R:W264 2.45 2 Yes Yes 7 8 2 2
R:R:I125 R:R:W129 2.35 0 No No 7 5 1 2
R:R:I125 R:R:T168 3.04 0 No No 7 7 1 2
L:L:?1 R:R:I125 5.98 2 Yes No 0 7 0 1
R:R:L172 R:R:N175 5.49 2 No Yes 7 5 1 1
L:L:?1 R:R:L172 4.64 2 Yes No 0 7 0 1
R:R:N175 R:R:S180 4.47 2 Yes Yes 5 4 1 2
R:R:L181 R:R:N175 6.87 2 No Yes 3 5 2 1
R:R:F192 R:R:N175 4.83 2 Yes Yes 4 5 1 1
L:L:?1 R:R:N175 2.3 2 Yes Yes 0 5 0 1
R:R:L181 R:R:S180 4.5 2 No Yes 3 4 2 2
R:R:F192 R:R:S180 2.64 2 Yes Yes 4 4 1 2
R:R:T191 R:R:Y294 11.24 0 No Yes 4 5 1 2
L:L:?1 R:R:T191 6.18 2 Yes No 0 4 0 1
R:R:F192 R:R:V204 2.62 2 Yes No 4 5 1 1
L:L:?1 R:R:F192 24.51 2 Yes Yes 0 4 0 1
L:L:?1 R:R:V204 11.24 2 Yes No 0 5 0 1
R:R:N268 R:R:V205 5.91 2 No No 7 5 1 1
R:R:L272 R:R:V205 4.47 0 No No 6 5 2 1
L:L:?1 R:R:V205 2.5 2 Yes No 0 5 0 1
R:R:F209 R:R:N268 20.54 0 No No 8 7 2 1
R:R:L267 R:R:W264 5.69 0 No Yes 6 8 1 2
R:R:L267 R:R:Y294 9.38 0 No Yes 6 5 1 2
L:L:?1 R:R:L267 5.8 2 Yes No 0 6 0 1
L:L:?1 R:R:N268 2.3 2 Yes No 0 7 0 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub3.00
Average Interaction Strength6.80
Average Nodes In Shell25.00
Average Hubs In Shell11.00
Average Links In Shell34.00
Average Links Mediated by Hubs In Shell28.00
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 Links9.80
Average Number Of Links With An Hub4.00
Average Interaction Strength8.80
Average Nodes In Shell23.20
Average Hubs In Shell9.40
Average Links In Shell29.40
Average Links Mediated by Hubs In Shell26.20

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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 🔍)