Code8D1
Name5-amino-N-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)-2H-1,2,3-triazole-4-carboximidamide
Synonyms
Identifier5-azanyl-~{N}-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)-1,2,3-triazole-4-carboximidamide
FormulaC18 H20 N6 O
Molecular Weight336.391
SMILES[H]/N=C(/c1c(nn(n1)c2cccc(c2)C)N)\NCc3ccccc3OC
PubChem124081196
Formal Charge0
Total Atoms45
Total Chiral Atoms0
Total Bonds47
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
5UIG A Nucleotide Adenosine A2A Homo sapiens J3.651.884G - - 3.5 2017-02-08 10.1073/pnas.1621423114

A 2D representation of the interactions of 8D1 in 5UIG
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:S67 R:R:Y9 7.63 1 Yes Yes 3 5 1 2
R:R:Y271 R:R:Y9 8.94 1 Yes Yes 3 5 1 2
R:R:F70 R:R:I66 3.77 0 Yes No 7 4 2 1
L:L:?3 R:R:I66 3.74 1 Yes No 0 4 0 1
R:R:S67 R:R:Y271 10.17 1 Yes Yes 3 3 1 1
L:L:?3 R:R:S67 6.89 1 Yes Yes 0 3 0 1
R:R:C82 R:R:L85 4.76 0 No No 5 4 2 1
R:R:L85 R:R:M177 4.24 1 No No 4 6 1 1
L:L:?3 R:R:L85 4.54 1 Yes No 0 4 0 1
R:R:F168 R:R:L167 18.27 0 No No 4 4 1 2
R:R:E169 R:R:F168 7 0 No No 3 4 2 1
L:L:?3 R:R:F168 10.38 1 Yes No 0 4 0 1
R:R:E169 R:R:M174 6.77 0 No No 3 4 2 2
R:R:E169 R:R:H264 12.31 0 No No 3 2 2 2
R:R:M174 R:R:N253 5.61 0 No No 4 5 2 1
L:L:?3 R:R:M177 5.56 1 Yes No 0 6 0 1
R:R:H250 R:R:N181 5.1 0 No No 6 5 1 2
R:R:F182 R:R:H250 24.89 10 Yes No 5 6 2 1
R:R:I274 R:R:L249 7.14 1 No No 4 5 1 1
L:L:?3 R:R:L249 17.25 1 Yes No 0 5 0 1
L:L:?3 R:R:H250 4.22 1 Yes No 0 6 0 1
L:L:?3 R:R:N253 7.2 1 Yes No 0 5 0 1
R:R:H264 R:R:M270 3.94 0 No No 2 4 2 1
R:R:L267 R:R:Y271 4.69 0 No Yes 3 3 2 1
L:L:?3 R:R:M270 8.34 1 Yes No 0 4 0 1
L:L:?3 R:R:Y271 12.3 1 Yes Yes 0 3 0 1
R:R:H278 R:R:I274 3.98 0 Yes No 6 4 2 1
L:L:?3 R:R:I274 24.34 1 Yes No 0 4 0 1
R:R:A273 R:R:L249 3.15 0 No No 6 5 2 1
R:R:I252 R:R:M270 2.92 0 No No 5 4 2 1
R:R:S67 R:R:T68 1.6 1 Yes No 3 5 1 2
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub2.00
Average Interaction Strength9.52
Average Nodes In Shell26.00
Average Hubs In Shell7.00
Average Links In Shell31.00
Average Links Mediated by Hubs In Shell19.00
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 Links11.00
Average Number Of Links With An Hub2.00
Average Interaction Strength9.52
Average Nodes In Shell26.00
Average Hubs In Shell7.00
Average Links In Shell31.00
Average Links Mediated by Hubs In Shell19.00

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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 🔍)