CodeW96
NameN-pyridin-4-ylisoquinolin-4-amine
Synonyms
Identifier~{N}-pyridin-4-ylisoquinolin-4-amine
FormulaC14 H11 N3
Molecular Weight221.257
SMILESc1ccc2c(c1)cncc2Nc3ccncc3
PubChem164946675
Formal Charge0
Total Atoms28
Total Chiral Atoms0
Total Bonds30
Total Aromatic Bonds17
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
7W6P A Amine Adrenergic Alpha2A Homo sapiens W96 - Go/Beta1/Gamma2 3.47 2022-09-28 10.1126/science.abn7065

A 2D representation of the interactions of W96 in 7W6P
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 11.69 1 Yes Yes 8 8 1 2
R:R:V101 R:R:Y431 5.05 1 Yes Yes 8 8 2 1
R:R:S105 R:R:W428 6.18 1 No Yes 8 7 2 2
R:R:S105 R:R:Y431 6.36 1 No Yes 8 8 2 1
R:R:C132 R:R:D128 3.11 1 No Yes 7 8 1 1
R:R:D128 R:R:Y431 6.9 1 Yes Yes 8 8 1 1
L:L:?1 R:R:D128 11.7 1 Yes Yes 0 8 0 1
R:R:S180 R:R:V129 3.23 0 No No 8 8 2 1
L:L:?1 R:R:V129 12.84 1 Yes No 0 8 0 1
R:R:C132 R:R:W402 5.22 1 No Yes 7 9 1 1
L:L:?1 R:R:C132 7.98 1 Yes No 0 7 0 1
R:R:S176 R:R:T133 3.2 0 No Yes 8 8 2 1
R:R:S219 R:R:T133 9.59 1 No Yes 8 8 1 1
L:L:?1 R:R:T133 3.18 1 Yes Yes 0 8 0 1
R:R:F220 R:R:I136 3.77 1 Yes No 9 9 2 2
R:R:I136 R:R:W402 11.74 1 No Yes 9 9 2 1
L:L:?1 R:R:I205 5.13 1 Yes No 0 7 0 1
R:R:S215 R:R:Y211 7.63 0 No No 9 8 1 2
R:R:V212 R:R:Y409 10.09 0 No No 7 8 2 1
L:L:?1 R:R:S215 5.39 1 Yes No 0 9 0 1
R:R:C216 R:R:F406 5.59 0 No Yes 7 8 2 1
L:L:?1 R:R:S219 4.31 1 Yes No 0 8 0 1
R:R:F220 R:R:W402 4.01 1 Yes Yes 9 9 2 1
R:R:F220 R:R:F406 18.22 1 Yes Yes 9 8 2 1
R:R:F405 R:R:W402 5.01 1 Yes Yes 8 9 1 1
R:R:F406 R:R:W402 10.02 1 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 10.17 0 No Yes 9 9 2 1
L:L:?1 R:R:W402 8.18 1 Yes Yes 0 9 0 1
R:R:F405 R:R:F406 3.22 1 Yes Yes 8 8 1 1
R:R:F405 R:R:Y409 8.25 1 Yes No 8 8 1 1
R:R:F405 R:R:F423 9.65 1 Yes No 8 6 1 2
R:R:F405 R:R:F427 7.5 1 Yes No 8 7 1 1
L:L:?1 R:R:F405 8.75 1 Yes Yes 0 8 0 1
L:L:?1 R:R:F406 6.12 1 Yes Yes 0 8 0 1
L:L:?1 R:R:Y409 10.95 1 Yes No 0 8 0 1
R:R:F427 R:R:Y431 9.28 1 No Yes 7 8 1 1
L:L:?1 R:R:F427 25.37 1 Yes No 0 7 0 1
R:R:W428 R:R:Y431 10.61 1 Yes Yes 7 8 2 1
L:L:?1 R:R:Y431 9.26 1 Yes Yes 0 8 0 1
R:R:I179 R:R:T133 3.04 0 No Yes 8 8 2 1
R:R:E204 R:R:I205 2.73 0 No No 4 7 2 1
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub6.00
Average Interaction Strength9.17
Average Nodes In Shell29.00
Average Hubs In Shell10.00
Average Links In Shell42.00
Average Links Mediated by Hubs In Shell38.00
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 Links13.00
Average Number Of Links With An Hub6.00
Average Interaction Strength9.17
Average Nodes In Shell29.00
Average Hubs In Shell10.00
Average Links In Shell42.00
Average Links Mediated by Hubs In Shell38.00

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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 🔍)