CodePEA
NamePhenethylamine
Synonymsbenzeneethanamine
Identifier
FormulaC8 H12 N
Molecular Weight122.188
SMILES
PubChem448751
Formal Charge1
Total Atoms21
Total Chiral Atoms0
Total Bonds21
Total Aromatic Bonds6
Networks9
missing image

This ligand is also present in the following 9 networks:

Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8IW7 A Orphan Orphan TA9 Mus Musculus 2-Phenylethylamine - chim(NtGi1-Gs)/Beta1/Gamma2 2.97 2023-05-31 doi.org/10.1038/s41586-023-06106-4

A 2D representation of the interactions of PEA in 8IW7
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:D112 10.77 3 Yes Yes 0 6 0 1
L:L:?1 R:R:T113 17.54 3 Yes No 0 4 0 1
L:L:?1 R:R:C116 6.3 3 Yes No 0 7 0 1
L:L:?1 R:R:C202 4.72 3 Yes No 0 5 0 1
L:L:?1 R:R:Y274 12.79 3 Yes Yes 0 6 0 1
L:L:?1 R:R:V300 2.95 3 Yes No 0 7 0 1
L:L:?1 R:R:Y301 3.49 3 Yes Yes 0 8 0 1
R:R:D112 R:R:V85 7.3 3 Yes Yes 6 7 1 2
R:R:V85 R:R:Y301 5.05 3 Yes Yes 7 8 2 1
R:R:S89 R:R:Y301 3.82 0 No Yes 6 8 2 1
R:R:C116 R:R:D112 4.67 3 No Yes 7 6 1 1
R:R:D112 R:R:Y301 6.9 3 Yes Yes 6 8 1 1
R:R:S164 R:R:T113 3.2 0 No No 7 4 2 1
R:R:C202 R:R:L194 3.17 0 No No 5 4 1 2
R:R:I275 R:R:W271 5.87 7 Yes Yes 7 8 2 2
R:R:V300 R:R:W271 22.07 0 No Yes 7 8 1 2
R:R:I275 R:R:Y274 6.04 7 Yes Yes 7 6 2 1
R:R:Y274 R:R:Y293 2.98 0 Yes No 6 4 1 2
R:R:L296 R:R:Y274 8.21 0 No Yes 5 6 2 1
R:R:V297 R:R:Y274 5.05 0 No Yes 6 6 2 1
R:R:W298 R:R:Y301 7.72 3 Yes Yes 5 8 2 1
StatisticsValue
Average Number Of Links7.00
Average Number Of Links With An Hub3.00
Average Interaction Strength8.37
Average Nodes In Shell18.00
Average Hubs In Shell8.00
Average Links In Shell21.00
Average Links Mediated by Hubs In Shell19.00

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
8IWM A Orphan Orphan TA9 Mus Musculus 2-Phenylethylamine - - 3.17 2023-05-31 doi.org/10.1038/s41586-023-06106-4

A 2D representation of the interactions of PEA in 8IWM
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:D112 10.77 1 Yes Yes 0 6 0 1
L:L:?1 R:R:T113 17.54 1 Yes No 0 4 0 1
L:L:?1 R:R:C116 6.3 1 Yes No 0 7 0 1
L:L:?1 R:R:C202 4.72 1 Yes No 0 5 0 1
L:L:?1 R:R:Y274 12.79 1 Yes Yes 0 6 0 1
L:L:?1 R:R:Y301 3.49 1 Yes Yes 0 8 0 1
R:R:D112 R:R:V85 7.3 1 Yes Yes 6 7 1 2
R:R:V85 R:R:Y301 5.05 1 Yes Yes 7 8 2 1
R:R:S89 R:R:Y301 3.82 0 No Yes 6 8 2 1
R:R:C116 R:R:D112 4.67 1 No Yes 7 6 1 1
R:R:D112 R:R:Y301 6.9 1 Yes Yes 6 8 1 1
R:R:I275 R:R:Y274 6.04 2 Yes Yes 7 6 2 1
R:R:L296 R:R:Y274 8.21 0 No Yes 5 6 2 1
R:R:V297 R:R:Y274 5.05 0 No Yes 6 6 2 1
R:R:W298 R:R:Y301 7.72 1 Yes Yes 5 8 2 1
R:R:C202 R:R:L194 3.17 0 No No 5 4 1 2
R:R:Y274 R:R:Y293 2.98 0 Yes No 6 4 1 2
StatisticsValue
Average Number Of Links6.00
Average Number Of Links With An Hub3.00
Average Interaction Strength9.27
Average Nodes In Shell15.00
Average Hubs In Shell7.00
Average Links In Shell17.00
Average Links Mediated by Hubs In Shell16.00

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
8W89 A Amine Trace Amine Receptors TA1 Homo Sapiens PEA - chim(NtGi1L-Gs)/Beta1/Gamma2 3 2023-11-22 doi.org/10.1038/s41586-023-06775-1

A 2D representation of the interactions of PEA in 8W89
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:D103 13.17 3 Yes Yes 0 6 0 1
L:L:?1 R:R:I104 11.08 3 Yes No 0 4 0 1
L:L:?1 R:R:S107 10.2 3 Yes No 0 6 0 1
L:L:?1 R:R:F186 5.91 3 Yes Yes 0 1 0 1
L:L:?1 R:R:W264 3.32 3 Yes Yes 0 8 0 1
L:L:?1 R:R:F267 15.36 3 Yes Yes 0 5 0 1
L:L:?1 R:R:F268 8.27 3 Yes Yes 0 7 0 1
L:L:?1 R:R:Y294 6.83 3 Yes Yes 0 7 0 1
R:R:D103 R:R:V76 8.76 3 Yes Yes 6 7 1 2
R:R:V76 R:R:Y294 3.79 3 Yes Yes 7 7 2 1
R:R:M77 R:R:Y294 9.58 0 Yes Yes 7 7 2 1
R:R:S80 R:R:Y294 11.45 0 No Yes 6 7 2 1
R:R:D103 R:R:R83 3.57 3 Yes No 6 4 1 2
R:R:D103 R:R:Y294 12.64 3 Yes Yes 6 7 1 1
R:R:A155 R:R:I104 3.25 0 No No 6 4 2 1
R:R:S107 R:R:W264 4.94 3 No Yes 6 8 1 1
R:R:I111 R:R:W264 10.57 0 No Yes 8 8 2 1
R:R:F186 R:R:M158 4.98 0 Yes No 1 5 1 2
R:R:F186 R:R:V184 6.55 0 Yes No 1 4 1 2
R:R:F186 R:R:S190 5.28 0 Yes No 1 6 1 2
R:R:F186 R:R:T194 10.38 0 Yes No 1 5 1 2
R:R:F195 R:R:F199 5.36 3 Yes Yes 5 8 2 2
R:R:F195 R:R:F268 4.29 3 Yes Yes 5 7 2 1
R:R:F199 R:R:F260 6.43 3 Yes Yes 8 9 2 2
R:R:F199 R:R:F268 18.22 3 Yes Yes 8 7 2 1
R:R:F260 R:R:W264 4.01 0 Yes Yes 9 8 2 1
R:R:F267 R:R:W264 7.02 3 Yes Yes 5 8 1 1
R:R:F268 R:R:W264 8.02 3 Yes Yes 7 8 1 1
R:R:G293 R:R:W264 8.44 0 No Yes 7 8 2 1
R:R:N296 R:R:W264 9.04 0 No Yes 9 8 2 1
R:R:F267 R:R:F268 7.5 3 Yes Yes 5 7 1 1
R:R:F267 R:R:T271 7.78 3 Yes No 5 5 1 2
R:R:F267 R:R:I290 5.02 3 Yes No 5 5 1 2
R:R:I290 R:R:Y294 3.63 0 No Yes 5 7 2 1
R:R:W291 R:R:Y294 10.61 0 Yes Yes 4 7 2 1
R:R:F186 R:R:G191 3.01 0 Yes No 1 4 1 2
R:R:I104 R:R:I159 2.94 0 No Yes 4 6 1 2
StatisticsValue
Average Number Of Links8.00
Average Number Of Links With An Hub6.00
Average Interaction Strength9.27
Average Nodes In Shell29.00
Average Hubs In Shell14.00
Average Links In Shell37.00
Average Links Mediated by Hubs In Shell36.00

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
8WC6 A Amine Trace Amine Receptors TA1 Mus Musculus 2-Phenylethylamine - chim(NtGi1-Gs)/Beta1/Gamma2 3.2 2023-12-27 doi.org/10.1016/j.cell.2023.10.014

A 2D representation of the interactions of PEA in 8WC6
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:D102 11.85 2 Yes No 0 6 0 1
L:L:?1 R:R:I103 12.46 2 Yes No 0 4 0 1
L:L:?1 R:R:S106 5.83 2 Yes No 0 6 0 1
L:L:?1 R:R:F185 4.73 2 Yes No 0 2 0 1
L:L:?1 R:R:F264 10.64 2 Yes Yes 0 6 0 1
L:L:?1 R:R:F265 3.55 2 Yes Yes 0 6 0 1
L:L:?1 R:R:Y291 3.41 2 Yes Yes 0 7 0 1
R:R:D102 R:R:I75 4.2 2 No Yes 6 6 1 2
R:R:M76 R:R:W288 3.49 2 Yes Yes 7 5 2 2
R:R:M76 R:R:Y291 5.99 2 Yes Yes 7 7 2 1
R:R:S79 R:R:Y291 5.09 0 No Yes 6 7 2 1
R:R:D102 R:R:Y291 11.49 2 No Yes 6 7 1 1
R:R:A154 R:R:I103 3.25 0 No No 7 4 2 1
R:R:S106 R:R:W261 3.71 0 No Yes 6 7 1 2
R:R:F185 R:R:P183 5.78 0 No No 2 4 1 2
R:R:P183 R:R:Y287 12.52 0 No No 4 5 2 2
R:R:F185 R:R:G190 4.52 0 No No 2 5 1 2
R:R:F194 R:R:F198 5.36 2 Yes Yes 5 7 2 2
R:R:F194 R:R:F265 8.57 2 Yes Yes 5 6 2 1
R:R:F198 R:R:W261 3.01 2 Yes Yes 7 7 2 2
R:R:F198 R:R:F265 11.79 2 Yes Yes 7 6 2 1
R:R:F264 R:R:W261 3.01 2 Yes Yes 6 7 1 2
R:R:F265 R:R:W261 4.01 2 Yes Yes 6 7 1 2
R:R:F264 R:R:F265 7.5 2 Yes Yes 6 6 1 1
R:R:F264 R:R:T268 3.89 2 Yes No 6 4 1 2
R:R:F264 R:R:L286 8.53 2 Yes No 6 5 1 2
R:R:F264 R:R:Y287 7.22 2 Yes No 6 5 1 2
R:R:W288 R:R:Y291 6.75 2 Yes Yes 5 7 2 1
R:R:F265 R:R:S197 2.64 2 Yes No 6 5 1 2
StatisticsValue
Average Number Of Links7.00
Average Number Of Links With An Hub3.00
Average Interaction Strength7.50
Average Nodes In Shell22.00
Average Hubs In Shell10.00
Average Links In Shell29.00
Average Links Mediated by Hubs In Shell25.00

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
8WCA A Amine Trace Amine Receptors TA1 Homo Sapiens 2-Phenylethylamine - chim(NtGi1-Gs)/Beta1/Gamma2 3.48 2023-12-27 doi.org/10.1016/j.cell.2023.10.014

A 2D representation of the interactions of PEA in 8WCA
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:D103 5.27 3 Yes No 0 6 0 1
L:L:?1 R:R:I104 9.69 3 Yes No 0 4 0 1
L:L:?1 R:R:S107 8.74 3 Yes No 0 6 0 1
L:L:?1 R:R:F186 3.55 3 Yes No 0 1 0 1
L:L:?1 R:R:T194 2.86 3 Yes No 0 5 0 1
L:L:?1 R:R:F267 14.18 3 Yes Yes 0 5 0 1
L:L:?1 R:R:F268 10.64 3 Yes Yes 0 7 0 1
L:L:?1 R:R:I290 2.77 3 Yes Yes 0 5 0 1
L:L:?1 R:R:Y294 4.55 3 Yes Yes 0 7 0 1
R:R:D103 R:R:V76 5.84 3 No Yes 6 7 1 2
R:R:V76 R:R:Y294 2.52 3 Yes Yes 7 7 2 1
R:R:S80 R:R:Y294 5.09 0 No Yes 6 7 2 1
R:R:D103 R:R:Y294 10.34 3 No Yes 6 7 1 1
R:R:A155 R:R:I104 3.25 0 No No 6 4 2 1
R:R:I104 R:R:I159 2.94 0 No Yes 4 6 1 2
R:R:S107 R:R:W264 3.71 0 No Yes 6 8 1 2
R:R:F154 R:R:T194 2.59 3 Yes No 4 5 2 1
R:R:F186 R:R:G191 4.52 3 No No 1 4 1 2
R:R:F186 R:R:T194 3.89 3 No No 1 5 1 1
R:R:F195 R:R:F268 3.22 0 No Yes 5 7 2 1
R:R:F268 R:R:S198 2.64 3 Yes No 7 6 1 2
R:R:F199 R:R:W264 4.01 3 No Yes 8 8 2 2
R:R:F199 R:R:F268 7.5 3 No Yes 8 7 2 1
R:R:F267 R:R:W264 2 3 Yes Yes 5 8 1 2
R:R:F267 R:R:F268 5.36 3 Yes Yes 5 7 1 1
R:R:F267 R:R:T271 5.19 3 Yes No 5 5 1 2
R:R:F267 R:R:L289 4.87 3 Yes No 5 5 1 2
R:R:F267 R:R:I290 5.02 3 Yes Yes 5 5 1 1
R:R:F268 R:R:T271 2.59 3 Yes No 7 5 1 2
R:R:I290 R:R:W291 2.35 3 Yes Yes 5 4 1 2
R:R:I290 R:R:Y294 6.04 3 Yes Yes 5 7 1 1
R:R:W291 R:R:Y294 1.93 3 Yes Yes 4 7 2 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub4.00
Average Interaction Strength6.92
Average Nodes In Shell23.00
Average Hubs In Shell10.00
Average Links In Shell32.00
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 Links7.44
Average Number Of Links With An Hub3.89
Average Interaction Strength8.31
Average Nodes In Shell21.67
Average Hubs In Shell9.89
Average Links In Shell27.67
Average Links Mediated by Hubs In Shell25.33

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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 🔍)