CodeJ59
NameBrimonidine
SynonymsBrimonidina
Identifier5-bromanyl-~{N}-(4,5-dihydro-1~{H}-imidazol-2-yl)quinoxalin-6-amine
FormulaC11 H10 Br N5
Molecular Weight292.135
SMILESc1cc(c(c2c1nccn2)Br)NC3=NCCN3
PubChem2435
Formal Charge0
Total Atoms27
Total Chiral Atoms0
Total Bonds29
Total Aromatic Bonds11
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
7EJ8 A Amine Adrenergic Alpha2A Homo sapiens Brimonidine - Go/Beta1/Gamma2 3 2022-04-13 10.1126/sciadv.abj5347

A 2D representation of the interactions of J59 in 7EJ8
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 Yes No 8 8 1 2
R:R:I102 R:R:Y431 3.63 0 No Yes 8 8 2 1
R:R:C132 R:R:D128 3.11 0 No Yes 7 8 2 1
R:R:D128 R:R:Y431 5.75 3 Yes Yes 8 8 1 1
L:L:?1 R:R:D128 13.52 3 Yes Yes 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 20.55 3 Yes No 0 8 0 1
R:R:C132 R:R:W402 5.22 0 No Yes 7 9 2 1
R:R:S219 R:R:T133 6.4 0 No No 8 8 1 2
R:R:I136 R:R:W402 7.05 0 No Yes 9 9 2 1
R:R:I205 R:R:Y409 8.46 0 No Yes 7 8 2 1
R:R:S215 R:R:Y211 5.09 0 No No 9 8 1 2
R:R:V212 R:R:Y409 3.79 0 No Yes 7 8 2 1
L:L:?1 R:R:S215 8.06 3 Yes No 0 9 0 1
R:R:C216 R:R:F406 2.79 0 No Yes 7 8 2 1
L:L:?1 R:R:S219 3.45 3 Yes No 0 8 0 1
R:R:F220 R:R:F406 22.51 3 Yes Yes 9 8 2 1
R:R:F406 R:R:W402 8.02 3 Yes Yes 8 9 1 1
R:R:G430 R:R:W402 8.44 0 No Yes 8 9 2 1
R:R:N433 R:R:W402 14.69 0 No Yes 9 9 2 1
L:L:?1 R:R:W402 7.86 3 Yes Yes 0 9 0 1
R:R:F405 R:R:F406 3.22 3 Yes Yes 8 8 1 1
R:R:F405 R:R:Y409 10.32 3 Yes Yes 8 8 1 1
R:R:F405 R:R:F423 6.43 3 Yes No 8 6 1 2
R:R:F405 R:R:F427 5.36 3 Yes No 8 7 1 1
L:L:?1 R:R:F405 13.07 3 Yes Yes 0 8 0 1
L:L:?1 R:R:F406 3.73 3 Yes Yes 0 8 0 1
R:R:F423 R:R:Y409 4.13 3 No Yes 6 8 2 1
L:L:?1 R:R:Y409 6.29 3 Yes Yes 0 8 0 1
R:R:F427 R:R:Y431 10.32 3 No Yes 7 8 1 1
L:L:?1 R:R:F427 19.6 3 Yes No 0 7 0 1
R:R:W428 R:R:Y431 4.82 0 No Yes 7 8 2 1
L:L:?1 R:R:Y431 8.09 3 Yes Yes 0 8 0 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub6.00
Average Interaction Strength10.42
Average Nodes In Shell26.00
Average Hubs In Shell8.00
Average Links In Shell33.00
Average Links Mediated by Hubs In Shell30.00
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 Links10.00
Average Number Of Links With An Hub6.00
Average Interaction Strength10.42
Average Nodes In Shell26.00
Average Hubs In Shell8.00
Average Links In Shell33.00
Average Links Mediated by Hubs In Shell30.00

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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 🔍)