CodeUJF
Name4-[4-(2-azanylethyl)-2-iodanyl-phenoxy]phenol
Synonyms
Identifier4-[4-(2-azanylethyl)-2-iodanyl-phenoxy]phenol
FormulaC14 H14 I N O2
Molecular Weight355.171
SMILESc1cc(ccc1O)Oc2ccc(cc2I)CCN
PubChem9950514
Formal Charge0
Total Atoms32
Total Chiral Atoms0
Total Bonds33
Total Aromatic Bonds12
Networks2
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This ligand is also present in the following 2 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8JLJ A Amine Trace amine receptors TA1 Mus Musclus T1AM - chim(NtGi1-Gs)/Beta1/Gamma2 3.1 2023-11-15 10.1038/s41586-023-06804-z

A 2D representation of the interactions of UJF in 8JLJ
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 1 No Yes 6 6 1 2
R:R:I75 R:R:Y291 4.84 1 Yes Yes 6 7 2 1
R:R:S79 R:R:Y291 3.82 0 No Yes 6 7 2 1
R:R:D102 R:R:Y291 5.75 1 No Yes 6 7 1 1
L:L:?1 R:R:D102 13.85 1 Yes No 0 6 0 1
R:R:I103 R:R:Y153 3.63 1 Yes Yes 4 4 1 1
R:R:A154 R:R:I103 3.25 1 No Yes 7 4 2 1
R:R:I103 R:R:I158 2.94 1 Yes No 4 5 1 2
L:L:?1 R:R:I103 19.77 1 Yes Yes 0 4 0 1
L:L:?1 R:R:S106 7.66 1 Yes No 0 6 0 1
R:R:P150 R:R:S107 5.34 1 Yes No 7 5 2 2
R:R:S107 R:R:Y153 5.09 1 No Yes 5 4 2 1
R:R:S107 R:R:S197 3.26 1 No No 5 5 2 1
R:R:I110 R:R:W261 3.52 0 No Yes 7 7 2 1
R:R:P150 R:R:Y153 2.78 1 Yes Yes 7 4 2 1
R:R:A154 R:R:Y153 2.67 1 No Yes 7 4 2 1
R:R:M157 R:R:Y153 4.79 1 Yes Yes 5 4 2 1
L:L:?1 R:R:Y153 6.84 1 Yes Yes 0 4 0 1
R:R:P183 R:R:Y287 6.95 0 No Yes 4 5 2 1
L:L:?1 R:R:A193 3.45 1 Yes No 0 4 0 1
R:R:S197 R:R:T196 3.2 0 No No 5 5 1 2
L:L:?1 R:R:S197 6.57 1 Yes No 0 5 0 1
R:R:F198 R:R:F257 5.36 1 Yes No 7 9 2 2
R:R:F198 R:R:W261 4.01 1 Yes Yes 7 7 2 1
R:R:F198 R:R:F265 13.93 1 Yes Yes 7 6 2 1
R:R:F257 R:R:W261 4.01 1 No Yes 9 7 2 1
R:R:F265 R:R:W261 5.01 1 Yes Yes 6 7 1 1
R:R:G290 R:R:W261 7.04 0 No Yes 6 7 2 1
R:R:N293 R:R:W261 11.3 0 No Yes 9 7 2 1
L:L:?1 R:R:W261 3.32 1 Yes Yes 0 7 0 1
R:R:F264 R:R:F265 5.36 1 Yes Yes 6 6 1 1
R:R:F264 R:R:T268 3.89 1 Yes No 6 4 1 2
R:R:F264 R:R:L286 4.87 1 Yes Yes 6 5 1 2
R:R:F264 R:R:Y287 6.19 1 Yes Yes 6 5 1 1
L:L:?1 R:R:F264 6.21 1 Yes Yes 0 6 0 1
L:L:?1 R:R:F265 5.33 1 Yes Yes 0 6 0 1
R:R:N283 R:R:Y287 8.14 0 No Yes 2 5 2 1
L:L:?1 R:R:Y287 15.38 1 Yes Yes 0 5 0 1
R:R:W288 R:R:Y291 14.47 0 Yes Yes 5 7 2 1
L:L:?1 R:R:Y291 8.54 1 Yes Yes 0 7 0 1
R:R:F194 R:R:F198 2.14 1 Yes Yes 5 7 2 2
R:R:F194 R:R:F265 2.14 1 Yes Yes 5 6 2 1
R:R:A193 R:R:G190 1.95 0 No No 4 5 1 2
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub7.00
Average Interaction Strength8.81
Average Nodes In Shell32.00
Average Hubs In Shell15.00
Average Links In Shell43.00
Average Links Mediated by Hubs In Shell40.00
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
8JLN A Amine Trace amine receptors TA1 Homo Sapiens T1AM - Gs/Beta1/Gamma2 3.24 2023-11-15 10.1038/s41586-023-06804-z

A 2D representation of the interactions of UJF in 8JLN
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:D103 R:R:V76 10.22 1 No No 6 7 1 2
R:R:M77 R:R:Y294 3.59 1 Yes Yes 7 7 2 1
R:R:S80 R:R:Y294 6.36 1 No Yes 6 7 2 1
R:R:I104 R:R:T100 3.04 0 No No 4 4 1 2
R:R:T100 R:R:V184 3.17 0 No No 4 4 2 1
R:R:D103 R:R:Y294 10.34 1 No Yes 6 7 1 1
L:L:?1 R:R:D103 15.19 1 Yes No 0 6 0 1
R:R:A155 R:R:I104 3.25 0 No No 6 4 2 1
L:L:?1 R:R:I104 10.27 1 Yes No 0 4 0 1
R:R:S107 R:R:W264 4.94 1 No Yes 6 8 1 1
L:L:?1 R:R:S107 13.21 1 Yes No 0 6 0 1
R:R:I111 R:R:W264 3.52 0 No Yes 8 8 2 1
R:R:F186 R:R:V184 5.24 0 Yes No 1 4 2 1
L:L:?1 R:R:V184 3.57 1 Yes No 0 4 0 1
R:R:F195 R:R:F268 6.43 0 Yes Yes 5 7 2 1
R:R:F268 R:R:S198 5.28 1 Yes No 7 6 1 1
L:L:?1 R:R:S198 7.2 1 Yes No 0 6 0 1
R:R:F199 R:R:F268 18.22 0 No Yes 8 7 2 1
R:R:F267 R:R:W264 3.01 1 Yes Yes 5 8 1 1
R:R:F268 R:R:W264 6.01 1 Yes Yes 7 8 1 1
R:R:G293 R:R:W264 4.22 0 No Yes 7 8 2 1
R:R:N296 R:R:W264 6.78 0 No Yes 9 8 2 1
L:L:?1 R:R:W264 10.02 1 Yes Yes 0 8 0 1
R:R:F267 R:R:F268 5.36 1 Yes Yes 5 7 1 1
R:R:F267 R:R:T271 7.78 1 Yes No 5 5 1 2
R:R:F267 R:R:L289 4.87 1 Yes Yes 5 5 1 2
R:R:F267 R:R:I290 3.77 1 Yes No 5 5 1 1
L:L:?1 R:R:F267 13.63 1 Yes Yes 0 5 0 1
L:L:?1 R:R:F268 4.87 1 Yes Yes 0 7 0 1
L:L:?1 R:R:I290 4.57 1 Yes No 0 5 0 1
R:R:W291 R:R:Y294 8.68 1 No Yes 4 7 2 1
L:L:?1 R:R:Y294 13.12 1 Yes Yes 0 7 0 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub4.00
Average Interaction Strength9.57
Average Nodes In Shell25.00
Average Hubs In Shell9.00
Average Links In Shell32.00
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 Links10.50
Average Number Of Links With An Hub5.50
Average Interaction Strength9.19
Average Nodes In Shell28.50
Average Hubs In Shell12.00
Average Links In Shell37.50
Average Links Mediated by Hubs In Shell34.00

missing image


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 🔍)