CodeVMT
Name2-(4-bromophenyl)ethanamine
Synonyms4-Bromophenethylamine
Identifier2-(4-bromophenyl)ethanamine
FormulaC8 H10 Br N
Molecular Weight200.076
SMILESc1cc(ccc1CCN)Br
PubChem533915
Formal Charge0
Total Atoms20
Total Chiral Atoms0
Total Bonds20
Total Aromatic Bonds6
Networks3
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This ligand is also present in the following 3 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8WC4 A Amine Trace amine receptors TA1 Mus Musculus ZH8651 - chim(NtGi1-Gs)/Beta1/Gamma2 3.1 2023-12-27 10.1016/j.cell.2023.10.014

A 2D representation of the interactions of VMT in 8WC4
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:D102 R:R:I75 5.6 2 No Yes 6 6 1 2
R:R:I75 R:R:Y291 3.63 2 Yes Yes 6 7 2 1
R:R:M76 R:R:W288 3.49 2 Yes No 7 5 2 2
R:R:M76 R:R:Y291 15.57 2 Yes Yes 7 7 2 1
R:R:S79 R:R:Y291 7.63 0 No Yes 6 7 2 1
R:R:D102 R:R:Y291 5.75 2 No Yes 6 7 1 1
L:L:?1 R:R:D102 14.54 2 Yes No 0 6 0 1
R:R:A154 R:R:I103 3.25 0 No No 7 4 2 1
R:R:I103 R:R:I158 2.94 0 No Yes 4 5 1 2
L:L:?1 R:R:I103 15.29 2 Yes No 0 4 0 1
R:R:S106 R:R:W261 3.71 0 No Yes 6 7 1 2
L:L:?1 R:R:S106 8.94 2 Yes No 0 6 0 1
R:R:P183 R:R:Y287 8.34 0 No Yes 4 5 2 1
R:R:F185 R:R:S189 5.28 2 No Yes 2 6 1 2
R:R:F185 R:R:G190 4.52 2 No No 2 5 1 2
L:L:?1 R:R:F185 2.9 2 Yes No 0 2 0 1
R:R:G190 R:R:S189 3.71 2 No Yes 5 6 2 2
R:R:F194 R:R:F198 7.5 2 No Yes 5 7 2 2
R:R:F194 R:R:F265 8.57 2 No Yes 5 6 2 1
R:R:F265 R:R:S197 5.28 2 Yes No 6 5 1 2
R:R:F198 R:R:W261 4.01 2 Yes Yes 7 7 2 2
R:R:F198 R:R:F265 16.08 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 5.01 2 Yes Yes 6 7 1 2
R:R:F264 R:R:T268 5.19 2 Yes No 6 4 1 2
R:R:F264 R:R:L286 6.09 2 Yes No 6 5 1 2
R:R:F264 R:R:Y287 10.32 2 Yes Yes 6 5 1 1
L:L:?1 R:R:F264 14.5 2 Yes Yes 0 6 0 1
L:L:?1 R:R:F265 7.25 2 Yes Yes 0 6 0 1
L:L:?1 R:R:Y287 5.58 2 Yes Yes 0 5 0 1
R:R:W288 R:R:Y291 11.58 2 No Yes 5 7 2 1
L:L:?1 R:R:Y291 4.19 2 Yes Yes 0 7 0 1
R:R:A193 R:R:Y153 2.67 0 No No 4 4 1 2
R:R:N283 R:R:Y287 2.33 0 No Yes 2 5 2 1
L:L:?1 R:R:A193 1.88 2 Yes No 0 4 0 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub4.00
Average Interaction Strength8.34
Average Nodes In Shell27.00
Average Hubs In Shell11.00
Average Links In Shell35.00
Average Links Mediated by Hubs In Shell32.00
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
8WC8 A Amine Trace amine receptors TA1 Mus Musculus ZH8651 - chim(NtGi1-Gs)/Beta1/Gamma2 2.9 2023-12-27 10.1016/j.cell.2023.10.014

A 2D representation of the interactions of VMT in 8WC8
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:L72 R:R:Y294 5.86 0 No Yes 7 7 2 1
R:R:D103 R:R:V76 13.15 2 No No 6 7 1 2
R:R:V76 R:R:Y294 6.31 2 No Yes 7 7 2 1
R:R:M77 R:R:Y294 9.58 0 Yes Yes 7 7 2 1
R:R:R83 R:R:S80 7.91 0 Yes No 4 6 2 2
R:R:S80 R:R:Y294 5.09 0 No Yes 6 7 2 1
R:R:I290 R:R:R83 3.76 2 Yes Yes 5 4 1 2
R:R:D103 R:R:Y294 11.49 2 No Yes 6 7 1 1
L:L:?1 R:R:D103 9.52 2 Yes No 0 6 0 1
L:L:?1 R:R:I104 7.15 2 Yes No 0 4 0 1
R:R:S107 R:R:W264 4.94 2 No Yes 6 8 1 1
L:L:?1 R:R:S107 16.54 2 Yes No 0 6 0 1
R:R:I111 R:R:W264 10.57 0 No Yes 8 8 2 1
R:R:F154 R:R:M158 3.73 2 No Yes 4 5 2 2
R:R:F154 R:R:T194 6.49 2 No Yes 4 5 2 1
R:R:F186 R:R:M158 4.98 2 Yes Yes 1 5 1 2
R:R:M158 R:R:T194 4.52 2 Yes Yes 5 5 2 1
R:R:F186 R:R:G191 4.52 2 Yes No 1 4 1 2
R:R:F186 R:R:T194 7.78 2 Yes Yes 1 5 1 1
R:R:F186 R:R:T271 3.89 2 Yes No 1 5 1 2
L:L:?1 R:R:F186 7.32 2 Yes Yes 0 1 0 1
L:L:?1 R:R:T194 4.43 2 Yes Yes 0 5 0 1
R:R:F195 R:R:F199 8.57 2 Yes No 5 8 2 2
R:R:F195 R:R:F268 6.43 2 Yes Yes 5 7 2 1
R:R:F199 R:R:F268 18.22 2 No Yes 8 7 2 1
R:R:C263 R:R:W264 6.53 2 No Yes 8 8 2 1
R:R:C263 R:R:N296 11.02 2 No Yes 8 9 2 2
R:R:F267 R:R:W264 7.02 2 Yes Yes 5 8 1 1
R:R:F268 R:R:W264 10.02 2 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 7.91 2 Yes Yes 9 8 2 1
L:L:?1 R:R:W264 6.85 2 Yes Yes 0 8 0 1
R:R:F267 R:R:T271 6.49 2 Yes No 5 5 1 2
R:R:F267 R:R:L289 4.87 2 Yes No 5 5 1 2
R:R:F267 R:R:I290 3.77 2 Yes Yes 5 5 1 1
L:L:?1 R:R:F267 18.3 2 Yes Yes 0 5 0 1
L:L:?1 R:R:F268 10.98 2 Yes Yes 0 7 0 1
R:R:I290 R:R:Y294 6.04 2 Yes Yes 5 7 1 1
L:L:?1 R:R:I290 4.29 2 Yes Yes 0 5 0 1
R:R:W291 R:R:Y294 9.65 0 No Yes 4 7 2 1
L:L:?1 R:R:Y294 4.7 2 Yes Yes 0 7 0 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:F186 R:R:V184 2.62 2 Yes No 1 4 1 2
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub7.00
Average Interaction Strength9.01
Average Nodes In Shell31.00
Average Hubs In Shell14.00
Average Links In Shell44.00
Average Links Mediated by Hubs In Shell42.00
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
8WC9 A Amine Trace amine receptors TA1 Mus Musculus ZH8651 - chim(NtGi1-Gs-CtGq)/Beta1/Gamma2 3.2 2023-12-27 10.1016/j.cell.2023.10.014

A 2D representation of the interactions of VMT in 8WC9
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:D102 R:R:I75 8.4 2 Yes Yes 6 6 1 2
R:R:I75 R:R:Y291 3.63 2 Yes Yes 6 7 2 1
R:R:M76 R:R:Y291 9.58 2 Yes Yes 7 7 2 1
R:R:S79 R:R:Y291 6.36 0 No Yes 6 7 2 1
R:R:D102 R:R:S106 2.94 2 Yes No 6 6 1 1
R:R:D102 R:R:Y291 5.75 2 Yes Yes 6 7 1 1
L:L:?1 R:R:D102 17.43 2 Yes Yes 0 6 0 1
R:R:A154 R:R:I103 3.25 0 No No 7 4 2 1
L:L:?1 R:R:I103 8.33 2 Yes No 0 4 0 1
L:L:?1 R:R:S106 10.52 2 Yes No 0 6 0 1
R:R:P183 R:R:Y287 4.17 0 No No 4 5 2 1
R:R:F194 R:R:F265 4.29 0 Yes Yes 5 6 2 1
R:R:F265 R:R:S197 2.64 2 Yes No 6 5 1 2
R:R:F198 R:R:W261 5.01 2 Yes Yes 7 7 2 2
R:R:F198 R:R:F265 15 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 7.02 2 Yes Yes 6 7 1 2
R:R:F264 R:R:T268 5.19 2 Yes No 6 4 1 2
R:R:F264 R:R:L286 3.65 2 Yes No 6 5 1 2
R:R:F264 R:R:Y287 8.25 2 Yes No 6 5 1 1
L:L:?1 R:R:F264 18.49 2 Yes Yes 0 6 0 1
L:L:?1 R:R:F265 7.11 2 Yes Yes 0 6 0 1
L:L:?1 R:R:Y287 6.84 2 Yes No 0 5 0 1
L:L:?1 R:R:Y291 5.47 2 Yes Yes 0 7 0 1
R:R:I103 R:R:Y153 2.42 0 No No 4 4 1 2
StatisticsValue
Average Number Of Links7.00
Average Number Of Links With An Hub4.00
Average Interaction Strength10.60
Average Nodes In Shell20.00
Average Hubs In Shell10.00
Average Links In Shell25.00
Average Links Mediated by Hubs In Shell22.00
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 Links8.67
Average Number Of Links With An Hub5.00
Average Interaction Strength9.32
Average Nodes In Shell26.00
Average Hubs In Shell11.67
Average Links In Shell34.67
Average Links Mediated by Hubs In Shell32.00

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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 🔍)