CodeOXF
Name2-[2-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethoxy]ethanol
SynonymsZK-756326
Identifier2-[2-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethoxy]ethanol
FormulaC21 H28 N2 O3
Molecular Weight356.459
SMILESc1ccc(cc1)Oc2cccc(c2)CN3CCN(CC3)CCOCCO
PubChem11688990
Formal Charge0
Total Atoms54
Total Chiral Atoms0
Total Bonds56
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
8KFY A Protein Chemokine CCR8 Homo Sapiens ZK-756326 - Gi1/Beta1/Gamma2 3.06 2024-02-07 10.1126/sciadv.adj7500

A 2D representation of the interactions of OXF in 8KFY
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:L38 R:R:Y42 4.69 0 No Yes 5 7 2 1
R:R:L38 R:R:L95 4.15 0 No No 5 5 2 2
R:R:F88 R:R:Y42 6.19 2 Yes Yes 7 7 2 1
R:R:Q91 R:R:Y42 7.89 2 Yes Yes 5 7 1 1
R:R:F290 R:R:Y42 10.32 2 Yes Yes 7 7 2 1
L:L:?1 R:R:Y42 6.34 2 Yes Yes 0 7 0 1
R:R:F84 R:R:F88 3.22 2 Yes Yes 6 7 2 2
R:R:F84 R:R:Y113 7.22 2 Yes Yes 6 6 2 1
R:R:F290 R:R:F84 3.22 2 Yes Yes 7 6 2 2
R:R:S87 R:R:Y113 5.09 0 No Yes 6 6 2 1
R:R:F290 R:R:F88 11.79 2 Yes Yes 7 7 2 2
R:R:Q91 R:R:Y94 4.51 2 Yes No 5 5 1 2
R:R:L95 R:R:Q91 5.32 0 No Yes 5 5 2 1
L:L:?1 R:R:Q91 26.74 2 Yes Yes 0 5 0 1
R:R:W99 R:R:Y94 8.68 2 Yes No 8 5 1 2
R:R:M105 R:R:W99 9.31 0 Yes Yes 5 8 2 1
R:R:C106 R:R:W99 3.92 2 No Yes 9 8 2 1
R:R:V174 R:R:W99 3.68 2 Yes Yes 4 8 2 1
R:R:C183 R:R:W99 16.98 2 No Yes 9 8 1 1
L:L:?1 R:R:W99 6.16 2 Yes Yes 0 8 0 1
R:R:C106 R:R:V174 3.42 2 No Yes 9 4 2 2
R:R:C106 R:R:C183 7.28 2 No No 9 9 2 1
R:R:S110 R:R:Y172 10.17 2 No No 6 4 2 1
R:R:Y113 R:R:Y114 3.97 2 Yes Yes 6 3 1 1
L:L:?1 R:R:Y113 18.12 2 Yes Yes 0 6 0 1
R:R:L168 R:R:Y114 9.38 0 No Yes 4 3 2 1
R:R:Y114 R:R:Y172 7.94 2 Yes No 3 4 1 1
R:R:M202 R:R:Y114 3.59 0 No Yes 4 3 2 1
L:L:?1 R:R:Y114 8.15 2 Yes Yes 0 3 0 1
R:R:L168 R:R:T198 4.42 0 No No 4 5 2 1
L:L:?1 R:R:Y172 9.96 2 Yes No 0 4 0 1
L:L:?1 R:R:C183 3.68 2 Yes No 0 9 0 1
R:R:K195 R:R:Y187 5.97 2 Yes No 3 5 1 2
R:R:K195 R:R:N199 4.2 2 Yes Yes 3 4 1 1
R:R:K195 R:R:S265 3.06 2 Yes No 3 3 1 2
L:L:?1 R:R:K195 3.27 2 Yes Yes 0 3 0 1
R:R:N199 R:R:T198 5.85 2 Yes No 4 5 1 1
L:L:?1 R:R:T198 4.56 2 Yes No 0 5 0 1
R:R:N199 R:R:S262 2.98 2 Yes No 4 4 1 2
L:L:?1 R:R:N199 3.18 2 Yes Yes 0 4 0 1
R:R:E286 R:R:F254 7 0 No Yes 5 6 1 2
R:R:E286 R:R:F290 3.5 0 No Yes 5 7 1 2
L:L:?1 R:R:E286 12.29 2 Yes No 0 5 0 1
R:R:K195 R:R:L192 2.82 2 Yes No 3 1 1 2
R:R:T92 R:R:Y42 2.5 0 No Yes 7 7 2 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub7.00
Average Interaction Strength9.31
Average Nodes In Shell31.00
Average Hubs In Shell14.00
Average Links In Shell45.00
Average Links Mediated by Hubs In Shell41.00
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 Hub7.00
Average Interaction Strength9.31
Average Nodes In Shell31.00
Average Hubs In Shell14.00
Average Links In Shell45.00
Average Links Mediated by Hubs In Shell41.00

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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 🔍)