CodeVMK
Name2-[4-(3-fluorophenyl)phenyl]ethanamine
Synonyms
Identifier2-[4-(3-fluorophenyl)phenyl]ethanamine
FormulaC14 H14 F N
Molecular Weight215.266
SMILESc1cc(cc(c1)F)c2ccc(cc2)CCN
PubChem39243566
Formal Charge0
Total Atoms30
Total Chiral Atoms0
Total Bonds31
Total Aromatic Bonds12
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
8WC7 A Amine Trace amine receptors TA1 Mus Musculus ZH8667 - chim(NtGi1-Gs)/Beta1/Gamma2 3.1 2023-12-27 10.1016/j.cell.2023.10.014

A 2D representation of the interactions of VMK in 8WC7
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:L71 R:R:M76 2.83 2 No Yes 7 7 2 2
R:R:L71 R:R:S106 3 2 No No 7 6 2 1
R:R:D102 R:R:I75 7 2 No Yes 6 6 1 2
R:R:M76 R:R:Y291 3.59 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 3.45 2 No Yes 6 7 1 1
L:L:?1 R:R:D102 17.14 2 Yes No 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 7.88 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 3.55 2 Yes No 0 6 0 1
R:R:P150 R:R:S107 3.56 0 No No 7 5 2 1
R:R:S107 R:R:S197 4.89 2 No No 5 5 1 1
L:L:?1 R:R:S107 4.74 2 Yes No 0 5 0 1
R:R:M157 R:R:Y153 4.79 0 No No 5 4 2 1
L:L:?1 R:R:Y153 4.63 2 Yes No 0 4 0 1
R:R:F194 R:R:F198 8.57 2 No No 5 7 2 2
R:R:F194 R:R:F265 3.22 2 No Yes 5 6 2 1
R:R:F265 R:R:S197 5.28 2 Yes No 6 5 1 1
L:L:?1 R:R:S197 8.29 2 Yes No 0 5 0 1
R:R:F198 R:R:W261 3.01 2 No Yes 7 7 2 2
R:R:F198 R:R:F265 16.08 2 No Yes 7 6 2 1
R:R:F265 R:R:W261 7.02 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 7.78 2 Yes No 6 4 1 2
R:R:F264 R:R:L286 3.65 2 Yes No 6 5 1 2
L:L:?1 R:R:F264 19.22 2 Yes Yes 0 6 0 1
L:L:?1 R:R:F265 14.42 2 Yes Yes 0 6 0 1
R:R:N283 R:R:Y287 4.65 0 No No 2 5 2 1
R:R:Y287 R:R:Y291 3.97 2 No Yes 5 7 1 1
L:L:?1 R:R:Y287 12.95 2 Yes No 0 5 0 1
R:R:W288 R:R:Y291 8.68 2 Yes Yes 5 7 2 1
L:L:?1 R:R:Y291 8.33 2 Yes Yes 0 7 0 1
L:L:?1 R:R:A193 2.49 2 Yes No 0 4 0 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub3.00
Average Interaction Strength9.42
Average Nodes In Shell26.00
Average Hubs In Shell8.00
Average Links In Shell34.00
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 🔍)
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub3.00
Average Interaction Strength9.42
Average Nodes In Shell26.00
Average Hubs In Shell8.00
Average Links In Shell34.00
Average Links Mediated by Hubs In Shell27.00

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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 🔍)