CodeE3F
Name(8~{a}~{R},12~{a}~{S},13~{a}~{S})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine
Synonyms
Identifier(8~{a}~{R},12~{a}~{S},13~{a}~{S})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine
FormulaC19 H28 N2 O3 S
Molecular Weight364.502
SMILESCCS(=O)(=O)N1CCC[C@H]2[C@@H]1C[C@H]3c4ccc(cc4CCN3C2)OC
PubChem9908992
Formal Charge0
Total Atoms53
Total Chiral Atoms3
Total Bonds56
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
6KUX A Amine Adrenergic Alpha2A Homo sapiens RS-79948 - - 2.7 2019-12-04 10.1038/nature06325

A 2D representation of the interactions of E3F in 6KUX
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 1 No No 8 8 1 2
R:R:F104 R:R:Y124 7.22 0 No Yes 7 7 2 1
R:R:S105 R:R:Y124 7.63 0 No Yes 8 7 2 1
R:R:S105 R:R:Y431 6.36 0 No Yes 8 8 2 1
R:R:Y115 R:R:Y124 8.94 1 Yes Yes 5 7 2 1
R:R:C203 R:R:Y115 20.16 1 No Yes 9 5 2 2
R:R:L125 R:R:Y124 4.69 0 No Yes 7 7 2 1
R:R:C203 R:R:Y124 5.38 1 No Yes 9 7 2 1
L:L:?1 R:R:Y124 6.48 1 Yes Yes 0 7 0 1
R:R:I205 R:R:L125 8.56 0 No No 7 7 1 2
R:R:D128 R:R:Y431 4.6 1 No Yes 8 8 1 1
L:L:?1 R:R:D128 26.78 1 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 8.23 1 Yes No 0 8 0 1
R:R:I205 R:R:Y409 4.84 0 No No 7 8 1 2
L:L:?1 R:R:I205 10.14 1 Yes No 0 7 0 1
R:R:S215 R:R:Y211 6.36 0 No Yes 9 8 1 2
R:R:C216 R:R:F406 4.19 0 No Yes 7 8 2 1
R:R:F220 R:R:F221 7.5 1 Yes Yes 9 7 2 2
R:R:F220 R:R:F406 23.58 1 Yes Yes 9 8 2 1
R:R:F221 R:R:F406 4.29 1 Yes Yes 7 8 2 1
R:R:F405 R:R:W402 7.02 1 Yes Yes 8 9 1 2
R:R:F406 R:R:W402 6.01 1 Yes Yes 8 9 1 2
R:R:F405 R:R:F406 13.93 1 Yes Yes 8 8 1 1
R:R:F405 R:R:F427 8.57 1 Yes No 8 7 1 1
L:L:?1 R:R:F405 17.3 1 Yes Yes 0 8 0 1
L:L:?1 R:R:F406 5.77 1 Yes Yes 0 8 0 1
R:R:F427 R:R:K424 4.96 1 No No 7 7 1 2
L:L:?1 R:R:F427 8.65 1 Yes No 0 7 0 1
L:L:?1 R:R:Y431 8.33 1 Yes Yes 0 8 0 1
R:R:I102 R:R:Y431 3.63 0 No Yes 8 8 2 1
L:L:?1 R:R:S215 2.37 1 Yes No 0 9 0 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub4.00
Average Interaction Strength10.45
Average Nodes In Shell25.00
Average Hubs In Shell10.00
Average Links In Shell32.00
Average Links Mediated by Hubs In Shell27.00
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 Links9.00
Average Number Of Links With An Hub4.00
Average Interaction Strength10.45
Average Nodes In Shell25.00
Average Hubs In Shell10.00
Average Links In Shell32.00
Average Links Mediated by Hubs In Shell27.00

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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 🔍)