CodeFVK
Name~{N}-[2-[[(2~{S})-2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide
Synonyms
Identifier~{N}-[2-[[(2~{S})-2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide
FormulaC16 H25 N3 O5
Molecular Weight339.387
SMILESc1cc(ccc1O)OC[C@H](CNCCNC(=O)N2CCOCC2)O
PubChem12681891
Formal Charge0
Total Atoms49
Total Chiral Atoms1
Total Bonds50
Total Aromatic Bonds6
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
6H7N A Amine Adrenergic Beta1 Meleagris gallopavo (S)-Xamoterol - - 2.5 2018-10-17 10.1101/436212

A 2D representation of the interactions of FVK in 6H7N
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:M48 R:R:V102 6.09 1 No No 6 5 2 2
R:R:M48 R:R:W330 17.45 1 No Yes 6 6 2 1
R:R:D121 R:R:V94 7.3 1 No No 7 7 1 2
R:R:V94 R:R:Y333 3.79 1 No Yes 7 7 2 1
R:R:V95 R:R:W330 3.68 1 Yes Yes 7 6 2 1
R:R:V95 R:R:Y333 6.31 1 Yes Yes 7 7 2 1
R:R:F97 R:R:W107 5.01 1 No Yes 4 7 2 2
R:R:F97 R:R:W117 8.02 1 No Yes 4 6 2 1
R:R:G98 R:R:W117 4.22 0 No Yes 6 6 2 1
R:R:V102 R:R:W330 3.68 1 No Yes 5 6 2 1
R:R:W107 R:R:W117 13.12 1 Yes Yes 7 6 2 1
L:L:?1 R:R:W117 8.59 1 Yes Yes 0 6 0 1
R:R:D121 R:R:Y333 9.2 1 No Yes 7 7 1 1
L:L:?1 R:R:D121 17.91 1 Yes No 0 7 0 1
L:L:?1 R:R:V122 9.36 1 Yes No 0 6 0 1
R:R:V125 R:R:W303 9.81 1 No Yes 6 8 1 1
L:L:?1 R:R:V125 6.55 1 Yes No 0 6 0 1
R:R:S215 R:R:T126 9.59 0 No No 6 6 1 2
R:R:I129 R:R:W303 8.22 0 No Yes 8 8 2 1
R:R:F201 R:R:T203 3.89 0 Yes No 4 4 1 2
R:R:F201 R:R:N310 3.62 0 Yes No 4 6 1 2
L:L:?1 R:R:F201 5.36 1 Yes Yes 0 4 0 1
R:R:T203 R:R:Y207 4.99 0 No Yes 4 7 2 2
R:R:S211 R:R:Y207 13.99 0 No Yes 6 7 1 2
L:L:?1 R:R:S211 5.66 1 Yes No 0 6 0 1
R:R:F307 R:R:S212 5.28 1 Yes No 7 6 1 2
R:R:N310 R:R:S212 5.96 0 No No 6 6 2 2
L:L:?1 R:R:S215 5.66 1 Yes No 0 6 0 1
R:R:F216 R:R:F307 22.51 0 Yes Yes 7 7 2 1
R:R:F306 R:R:W303 7.02 1 Yes Yes 7 8 1 1
R:R:F307 R:R:W303 9.02 1 Yes Yes 7 8 1 1
R:R:G332 R:R:W303 11.26 0 No Yes 6 8 2 1
R:R:N335 R:R:W303 6.78 0 No Yes 9 8 2 1
L:L:?1 R:R:W303 4.29 1 Yes Yes 0 8 0 1
R:R:F306 R:R:F307 13.93 1 Yes Yes 7 7 1 1
R:R:F306 R:R:F325 9.65 1 Yes Yes 7 4 1 2
R:R:F306 R:R:N329 12.08 1 Yes No 7 6 1 1
L:L:?1 R:R:F306 10.71 1 Yes Yes 0 7 0 1
L:L:?1 R:R:F307 9.95 1 Yes Yes 0 7 0 1
R:R:F325 R:R:N310 7.25 1 Yes No 4 6 2 2
R:R:D322 R:R:V326 4.38 0 No No 3 4 2 1
L:L:?1 R:R:V326 5.62 1 Yes No 0 4 0 1
R:R:N329 R:R:Y333 15.12 1 No Yes 6 7 1 1
L:L:?1 R:R:N329 19.84 1 Yes No 0 6 0 1
R:R:W330 R:R:Y333 3.86 1 Yes Yes 6 7 1 1
L:L:?1 R:R:W330 6.44 1 Yes Yes 0 6 0 1
L:L:?1 R:R:Y333 11.79 1 Yes Yes 0 7 0 1
R:R:F201 R:R:T118 2.59 0 Yes No 4 6 1 2
R:R:S211 R:R:V172 1.62 0 No No 6 5 1 2
R:R:S215 R:R:V172 1.62 0 No No 6 5 1 2
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub7.00
Average Interaction Strength9.12
Average Nodes In Shell35.00
Average Hubs In Shell13.00
Average Links In Shell50.00
Average Links Mediated by Hubs In Shell43.00
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 Links14.00
Average Number Of Links With An Hub7.00
Average Interaction Strength9.12
Average Nodes In Shell35.00
Average Hubs In Shell13.00
Average Links In Shell50.00
Average Links Mediated by Hubs In Shell43.00

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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 🔍)