Code7Y9
Name4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]benzenecarboximidamide
Synonyms
Identifier4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]benzenecarboximidamide
FormulaC30 H30 N2 O3
Molecular Weight466.571
SMILES[H]/N=C(\c1ccc(cc1)OCc2cccc(c2)COc3ccc(cc3)C(C)(C)c4ccc(cc4)O)/N
PubChem9956189
Formal Charge0
Total Atoms65
Total Chiral Atoms0
Total Bonds68
Total Aromatic Bonds24
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
5X33 A Lipid Leukotriene BLT1 Cavia porcellus BIIL260 - - 3.7 2018-01-03 10.1038/nchembio.2547

A 2D representation of the interactions of 7Y9 in 5X33
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:F274 R:R:L27 8.53 0 No No 6 7 1 2
R:R:D66 R:R:N38 4.04 1 Yes Yes 9 9 1 2
R:R:D66 R:R:L62 5.43 1 Yes No 9 9 1 2
R:R:L62 R:R:N280 4.12 1 No Yes 9 9 2 2
R:R:A65 R:R:S102 3.42 0 No Yes 8 8 2 1
R:R:D66 R:R:S106 4.42 1 Yes No 9 9 1 1
R:R:D66 R:R:S277 5.89 1 Yes No 9 9 1 1
R:R:D66 R:R:N280 4.04 1 Yes Yes 9 9 1 2
L:L:?1 R:R:D66 10.13 1 Yes Yes 0 9 0 1
R:R:S102 R:R:V69 6.46 1 Yes No 8 6 1 1
L:L:?1 R:R:V69 13.69 1 Yes No 0 6 0 1
R:R:L70 R:R:S277 9.01 0 No No 5 9 2 1
R:R:F76 R:R:W85 4.01 1 Yes Yes 6 8 1 2
R:R:C95 R:R:F76 4.19 1 No Yes 4 6 2 1
R:R:F76 R:R:H96 4.53 1 Yes No 6 5 1 1
L:L:?1 R:R:F76 16.79 1 Yes Yes 0 6 0 1
L:L:?1 R:R:L80 7.15 1 Yes No 0 5 0 1
R:R:C95 R:R:W85 3.92 1 No Yes 4 8 2 2
R:R:H96 R:R:R158 15.8 1 No Yes 5 4 1 2
L:L:?1 R:R:H96 6.65 1 Yes No 0 5 0 1
L:L:?1 R:R:C99 9.12 1 Yes No 0 6 0 1
L:L:?1 R:R:S102 5.17 1 Yes Yes 0 8 0 1
R:R:M103 R:R:W236 11.63 0 No Yes 7 9 2 1
L:L:?1 R:R:S106 5.17 1 Yes No 0 9 0 1
R:R:F232 R:R:W236 21.05 1 Yes Yes 9 9 2 1
R:R:F232 R:R:S276 3.96 1 Yes Yes 9 9 2 1
R:R:F235 R:R:S276 3.96 0 Yes Yes 7 9 2 1
R:R:H240 R:R:W236 4.23 0 Yes Yes 8 9 2 1
R:R:A273 R:R:W236 3.89 0 No Yes 7 9 2 1
R:R:S276 R:R:W236 7.41 1 Yes Yes 9 9 1 1
L:L:?1 R:R:W236 14.39 1 Yes Yes 0 9 0 1
R:R:H240 R:R:Y239 7.62 0 Yes Yes 8 6 2 2
R:R:R266 R:R:Y239 4.12 1 Yes Yes 4 6 2 2
R:R:I270 R:R:Y239 8.46 1 No Yes 5 6 1 2
R:R:K267 R:R:N264 4.2 0 Yes No 3 3 1 2
R:R:I270 R:R:R266 6.26 1 No Yes 5 4 1 2
L:L:?1 R:R:K267 10.53 1 Yes Yes 0 3 0 1
L:L:?1 R:R:I270 10.66 1 Yes No 0 5 0 1
L:L:?1 R:R:F274 12.59 1 Yes No 0 6 0 1
L:L:?1 R:R:S276 5.17 1 Yes Yes 0 9 0 1
L:L:?1 R:R:S277 3.45 1 Yes No 0 9 0 1
R:R:I19 R:R:K267 2.91 0 Yes Yes 3 3 2 1
R:R:K267 R:R:R263 2.48 0 Yes No 3 4 1 2
R:R:C99 R:R:G100 1.96 0 No No 6 4 1 2
R:R:A68 R:R:S102 1.71 0 No Yes 7 8 2 1
R:R:A23 R:R:L80 1.58 0 No No 5 5 2 1
R:R:L80 R:R:M24 1.41 0 No No 5 6 1 2
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub6.00
Average Interaction Strength9.33
Average Nodes In Shell38.00
Average Hubs In Shell17.00
Average Links In Shell47.00
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 🔍)
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub6.00
Average Interaction Strength9.33
Average Nodes In Shell38.00
Average Hubs In Shell17.00
Average Links In Shell47.00
Average Links Mediated by Hubs In Shell42.00

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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 🔍)