CodeJ5C
NameOxymetazoline
SynonymsOximetazolinum
Identifier6-~{tert}-butyl-3-(4,5-dihydro-1~{H}-imidazol-2-ylmethyl)-2,4-dimethyl-phenol
FormulaC16 H24 N2 O
Molecular Weight260.375
SMILESCc1cc(c(c(c1CC2=NCCN2)C)O)C(C)(C)C
PubChem4636
Formal Charge0
Total Atoms43
Total Chiral Atoms0
Total Bonds44
Total Aromatic Bonds6
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
7EJK A Amine Adrenergic Alpha2A Homo sapiens Oxymetazoline - Go/Beta1/Gamma2 3.4 2022-04-13 10.1126/sciadv.abj5347

A 2D representation of the interactions of J5C in 7EJK
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:D128 R:R:V101 5.84 3 No Yes 8 8 1 2
R:R:I102 R:R:S105 3.1 3 Yes No 8 8 2 2
R:R:I102 R:R:Y431 3.63 3 Yes Yes 8 8 2 1
R:R:S105 R:R:Y431 3.82 3 No Yes 8 8 2 1
R:R:D128 R:R:Y431 4.6 3 No Yes 8 8 1 1
L:L:?1 R:R:D128 17.75 3 Yes No 0 8 0 1
R:R:S180 R:R:V129 6.46 0 No No 8 8 2 1
L:L:?1 R:R:V129 19.49 3 Yes No 0 8 0 1
R:R:C132 R:R:W402 5.22 0 No Yes 7 9 1 2
L:L:?1 R:R:C132 11.07 3 Yes No 0 7 0 1
L:L:?1 R:R:S215 3.93 3 Yes No 0 9 0 1
R:R:F405 R:R:W402 4.01 3 Yes Yes 8 9 1 2
R:R:F406 R:R:W402 9.02 3 No Yes 8 9 2 2
R:R:F405 R:R:F406 9.65 3 Yes No 8 8 1 2
R:R:F405 R:R:Y409 17.54 3 Yes No 8 8 1 2
R:R:F405 R:R:F427 6.43 3 Yes No 8 7 1 1
L:L:?1 R:R:F405 12.75 3 Yes Yes 0 8 0 1
R:R:F427 R:R:Y431 6.19 3 No Yes 7 8 1 1
L:L:?1 R:R:F427 16.99 3 Yes No 0 7 0 1
L:L:?1 R:R:Y431 10.22 3 Yes Yes 0 8 0 1
R:R:C216 R:R:V212 1.71 0 No No 7 7 1 2
R:R:S215 R:R:S219 1.63 3 No No 9 8 1 2
R:R:I179 R:R:S215 1.55 3 No No 8 9 2 1
R:R:I179 R:R:S219 1.55 3 No No 8 8 2 2
L:L:?1 R:R:C216 1.38 3 Yes No 0 7 0 1
StatisticsValue
Average Number Of Links8.00
Average Number Of Links With An Hub2.00
Average Interaction Strength11.70
Average Nodes In Shell19.00
Average Hubs In Shell6.00
Average Links In Shell25.00
Average Links Mediated by Hubs In Shell20.00
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
7YM8 A Amine Adrenergic Alpha1A Homo sapiens Oxymetazoline - chim(Gs-CtGq)/Beta1/Gamma2 2.92 2023-07-05  10.1038/s41467-023-39310-x

A 2D representation of the interactions of J5C in 7YM8
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:L75 R:R:V79 5.96 0 Yes Yes 8 8 2 2
R:R:C110 R:R:L75 4.76 1 No Yes 6 8 1 2
R:R:L75 R:R:Y316 5.86 0 Yes Yes 8 7 2 1
R:R:V79 R:R:W102 4.9 1 Yes Yes 8 5 2 2
R:R:D106 R:R:V79 7.3 1 Yes Yes 7 8 1 2
R:R:L80 R:R:S83 3 1 Yes No 8 7 2 2
R:R:L80 R:R:W313 3.42 1 Yes Yes 8 6 2 2
R:R:L80 R:R:Y316 16.41 1 Yes Yes 8 7 2 1
R:R:S83 R:R:W102 6.18 1 No Yes 7 5 2 2
R:R:S83 R:R:Y316 8.9 1 No Yes 7 7 2 1
R:R:D106 R:R:W102 3.35 1 Yes Yes 7 5 1 2
R:R:D106 R:R:Y316 11.49 1 Yes Yes 7 7 1 1
L:L:?1 R:R:D106 8.28 1 Yes Yes 0 7 0 1
R:R:S158 R:R:V107 3.23 0 No No 8 6 2 1
L:L:?1 R:R:V107 12.99 1 Yes No 0 6 0 1
R:R:C110 R:R:W285 5.22 1 No Yes 6 8 1 1
L:L:?1 R:R:C110 9.69 1 Yes No 0 6 0 1
R:R:F281 R:R:I114 3.77 1 Yes No 9 8 2 2
R:R:I114 R:R:W285 10.57 1 No Yes 8 8 2 1
R:R:N179 R:R:P161 9.77 1 Yes Yes 5 7 2 2
R:R:P161 R:R:Y184 11.13 1 Yes Yes 7 8 2 1
R:R:W165 R:R:Y184 10.61 0 Yes Yes 6 8 2 1
R:R:N179 R:R:Y184 11.63 1 Yes Yes 5 8 2 1
R:R:S188 R:R:Y184 5.09 0 No Yes 7 8 2 1
L:L:?1 R:R:Y184 5.11 1 Yes Yes 0 8 0 1
R:R:A189 R:R:F289 2.77 0 No Yes 7 7 2 1
R:R:F193 R:R:Y194 10.32 1 Yes No 8 6 2 2
R:R:F193 R:R:F281 5.36 1 Yes Yes 8 9 2 2
R:R:F193 R:R:W285 3.01 1 Yes Yes 8 8 2 1
R:R:F193 R:R:F289 20.36 1 Yes Yes 8 7 2 1
R:R:F289 R:R:Y194 3.09 1 Yes No 7 6 1 2
R:R:F281 R:R:W285 4.01 1 Yes Yes 9 8 2 1
R:R:F288 R:R:W285 7.02 1 Yes Yes 7 8 1 1
R:R:F289 R:R:W285 6.01 1 Yes Yes 7 8 1 1
R:R:G315 R:R:W285 9.85 0 No Yes 7 8 2 1
R:R:N318 R:R:W285 7.91 0 No Yes 9 8 2 1
L:L:?1 R:R:W285 10.93 1 Yes Yes 0 8 0 1
R:R:F288 R:R:F289 9.65 1 Yes Yes 7 7 1 1
R:R:F288 R:R:M292 6.22 1 Yes Yes 7 7 1 2
R:R:F288 R:R:F312 3.22 1 Yes Yes 7 6 1 1
L:L:?1 R:R:F288 28.68 1 Yes Yes 0 7 0 1
L:L:?1 R:R:F289 5.31 1 Yes Yes 0 7 0 1
R:R:F308 R:R:M292 3.73 0 No Yes 4 7 2 2
R:R:F308 R:R:F312 5.36 0 No Yes 4 6 2 1
R:R:F312 R:R:Y316 8.25 1 Yes Yes 6 7 1 1
L:L:?1 R:R:F312 16.99 1 Yes Yes 0 6 0 1
R:R:W313 R:R:Y316 11.58 1 Yes Yes 6 7 2 1
L:L:?1 R:R:Y316 11.25 1 Yes Yes 0 7 0 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub7.00
Average Interaction Strength12.14
Average Nodes In Shell30.00
Average Hubs In Shell19.00
Average Links In Shell48.00
Average Links Mediated by Hubs In Shell47.00
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 Links8.50
Average Number Of Links With An Hub4.50
Average Interaction Strength11.92
Average Nodes In Shell24.50
Average Hubs In Shell12.50
Average Links In Shell36.50
Average Links Mediated by Hubs In Shell33.50

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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 🔍)