CodeW96
NameN-pyridin-4-ylisoquinolin-4-amine
Synonyms
Identifier
FormulaC14 H11 N3
Molecular Weight221.257
SMILES
PubChem164946675
Formal Charge0
Total Atoms28
Total Chiral Atoms0
Total Bonds30
Total Aromatic Bonds17
Networks2
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This ligand is also present in the following 2 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
7W6P A Amine Adrenergic Alpha2A Homo Sapiens N-pyridin-4-ylisoquinolin-4-amine - Go/Beta1/Gamma2 3.47 2022-09-28 doi.org/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
L:L:?1 R:R:D128 11.7 1 Yes Yes 0 8 0 1
L:L:?1 R:R:V129 12.84 1 Yes No 0 8 0 1
L:L:?1 R:R:C132 7.98 1 Yes No 0 7 0 1
L:L:?1 R:R:T133 3.18 1 Yes Yes 0 8 0 1
L:L:?1 R:R:I205 5.13 1 Yes No 0 7 0 1
L:L:?1 R:R:S215 5.39 1 Yes No 0 9 0 1
L:L:?1 R:R:S219 4.31 1 Yes No 0 8 0 1
L:L:?1 R:R:W402 8.18 1 Yes Yes 0 9 0 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
L:L:?1 R:R:F427 25.37 1 Yes No 0 7 0 1
L:L:?1 R:R:Y431 9.26 1 Yes Yes 0 8 0 1
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
R:R:S180 R:R:V129 3.23 1 No No 8 8 2 1
R:R:C132 R:R:W402 5.22 1 No Yes 7 9 1 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
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
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
R:R:C216 R:R:F406 5.59 0 No Yes 7 8 2 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
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
R:R:F427 R:R:Y431 9.28 1 No Yes 7 8 1 1
R:R:W428 R:R:Y431 10.61 1 Yes Yes 7 8 2 1
R:R:I179 R:R:T133 3.04 0 No Yes 8 8 2 1
R:R:E204 R:R:I205 1.37 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 Links12.50
Average Number Of Links With An Hub5.00
Average Interaction Strength9.42
Average Nodes In Shell27.50
Average Hubs In Shell8.50
Average Links In Shell39.00
Average Links Mediated by Hubs In Shell34.50

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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 🔍)