CodeGJ6
Name(5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol
Synonyms
Identifier
FormulaC13 H19 N O3
Molecular Weight237.295
SMILES
PubChem12353629
Formal Charge0
Total Atoms36
Total Chiral Atoms2
Total Bonds37
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
7XK9 A Amine Adrenergic Beta2 Homo Sapiens Constrained Isoproterenol Na - 3.4 2023-04-26 doi.org/10.1038/s41467-023-37808-y

A 2D representation of the interactions of GJ6 in 7XK9
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:D113 20.64 1 Yes Yes 0 7 0 1
L:L:?1 R:R:V114 10.19 1 Yes No 0 5 0 1
L:L:?1 R:R:V117 7.93 1 Yes Yes 0 6 0 1
L:L:?1 R:R:F193 12.96 1 Yes No 0 4 0 1
L:L:?1 R:R:S203 6.85 1 Yes No 0 5 0 1
L:L:?1 R:R:S207 6.85 1 Yes No 0 5 0 1
L:L:?1 R:R:F289 12.04 1 Yes Yes 0 6 0 1
L:L:?1 R:R:F290 7.41 1 Yes Yes 0 7 0 1
L:L:?1 R:R:N293 7.31 1 Yes Yes 0 5 0 1
L:L:?1 R:R:N312 15.66 1 Yes No 0 5 0 1
L:L:?1 R:R:Y316 7.13 1 Yes Yes 0 6 0 1
R:R:M82 R:R:V86 6.09 0 No No 7 7 2 2
R:R:M82 R:R:V117 4.56 0 No Yes 7 6 2 1
R:R:D113 R:R:V86 7.3 1 Yes No 7 7 1 2
R:R:V86 R:R:Y316 3.79 1 No Yes 7 6 2 1
R:R:F89 R:R:W99 4.01 1 No Yes 5 7 2 2
R:R:F89 R:R:W109 9.02 1 No Yes 5 5 2 1
R:R:G90 R:R:W109 4.22 0 No Yes 7 5 2 1
R:R:W109 R:R:W99 7.5 1 Yes Yes 5 7 1 2
R:R:D113 R:R:V117 4.38 1 Yes Yes 7 6 1 1
R:R:D113 R:R:Y316 10.34 1 Yes Yes 7 6 1 1
R:R:V114 R:R:Y199 3.79 0 No Yes 5 6 1 2
R:R:V117 R:R:W286 12.26 1 Yes Yes 6 8 1 2
R:R:S207 R:R:T118 9.59 0 No Yes 5 6 1 2
R:R:F193 R:R:T195 11.67 0 No No 4 3 1 2
R:R:F193 R:R:Y308 5.16 0 No Yes 4 5 1 2
R:R:T195 R:R:Y199 7.49 2 No Yes 3 6 2 2
R:R:S203 R:R:Y199 7.63 0 No Yes 5 6 1 2
R:R:F290 R:R:S204 5.28 1 Yes Yes 7 5 1 2
R:R:N293 R:R:S204 5.96 1 Yes Yes 5 5 1 2
R:R:F208 R:R:F290 22.51 0 Yes Yes 8 7 2 1
R:R:F289 R:R:W286 6.01 1 Yes Yes 6 8 1 2
R:R:F290 R:R:W286 10.02 1 Yes Yes 7 8 1 2
R:R:F289 R:R:F290 12.86 1 Yes Yes 6 7 1 1
R:R:F289 R:R:N293 8.46 1 Yes Yes 6 5 1 1
R:R:F289 R:R:Y308 11.35 1 Yes Yes 6 5 1 2
R:R:F289 R:R:N312 16.92 1 Yes No 6 5 1 1
R:R:F290 R:R:N293 3.62 1 Yes Yes 7 5 1 1
R:R:H296 R:R:N293 5.1 1 No Yes 3 5 2 1
R:R:N293 R:R:Y308 8.14 1 Yes Yes 5 5 1 2
R:R:H296 R:R:Y308 13.07 1 No Yes 3 5 2 2
R:R:N312 R:R:Y316 11.63 1 No Yes 5 6 1 1
R:R:W313 R:R:Y316 11.58 0 No Yes 5 6 2 1
L:L:?1 R:R:W109 2.6 1 Yes Yes 0 5 0 1
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub7.00
Average Interaction Strength9.80
Average Nodes In Shell27.00
Average Hubs In Shell15.00
Average Links In Shell44.00
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 Links12.00
Average Number Of Links With An Hub7.00
Average Interaction Strength9.80
Average Nodes In Shell27.00
Average Hubs In Shell15.00
Average Links In Shell44.00
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 🔍)