CodeJ5C
NameOxymetazoline
SynonymsOxymethazoline
Identifier
FormulaC16 H24 N2 O
Molecular Weight260.375
SMILES
PubChem4636
Formal Charge0
Total Atoms43
Total Chiral Atoms0
Total Bonds44
Total Aromatic Bonds6
Networks4
 missing image

This ligand is also present in the following 4 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 16.57 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 18.19 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 10.34 3 Yes No 0 7 0 1
L:L:?1 R:R:S215 3.67 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 Yes 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 11.9 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 15.87 3 Yes No 0 7 0 1
L:L:?1 R:R:Y431 9.54 3 Yes Yes 0 8 0 1
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
StatisticsValue
Average Number Of Links7.00
Average Number Of Links With An Hub2.00
Average Interaction Strength12.30
Average Nodes In Shell17.00
Average Hubs In Shell7.00
Average Links In Shell23.00
Average Links Mediated by Hubs In Shell19.00
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) 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
L:L:?1 R:R:D106 7.73 1 Yes Yes 0 7 0 1
L:L:?1 R:R:V107 12.13 1 Yes No 0 6 0 1
L:L:?1 R:R:C110 9.04 1 Yes No 0 6 0 1
L:L:?1 R:R:Y184 4.77 1 Yes Yes 0 8 0 1
L:L:?1 R:R:W285 10.2 1 Yes Yes 0 8 0 1
L:L:?1 R:R:F288 26.77 1 Yes Yes 0 7 0 1
L:L:?1 R:R:F289 4.96 1 Yes Yes 0 7 0 1
L:L:?1 R:R:F312 15.87 1 Yes Yes 0 6 0 1
L:L:?1 R:R:Y316 10.5 1 Yes Yes 0 7 0 1
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
R:R:S158 R:R:V107 3.23 0 No No 8 6 2 1
R:R:C110 R:R:W285 5.22 1 No Yes 6 8 1 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
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
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
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
R:R:W313 R:R:Y316 11.58 1 Yes Yes 6 7 2 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub7.00
Average Interaction Strength11.33
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 Links8.00
Average Number Of Links With An Hub4.50
Average Interaction Strength11.81
Average Nodes In Shell23.50
Average Hubs In Shell12.50
Average Links In Shell35.00
Average Links Mediated by Hubs In Shell32.25

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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 🔍)