Code6DY
Name2-(furan-2-yl)-N~5~-[2-(4-phenylpiperidin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
Synonyms
Identifier2-(furan-2-yl)-~{N}5-[2-(4-phenylpiperidin-1-yl)ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
FormulaC21 H24 N8 O
Molecular Weight404.468
SMILESc1ccc(cc1)C2CCN(CC2)CCNc3nc(n4c(n3)nc(n4)c5ccco5)N
PubChem86302363
Formal Charge0
Total Atoms54
Total Chiral Atoms0
Total Bonds58
Total Aromatic Bonds21
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
5IU7 A Nucleotide Adenosine A2A Homo sapiens Q27456346 Na - 1.9 2016-06-29 10.1021/acs.jmedchem.6b00653

A 2D representation of the interactions of 6DY in 5IU7
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:A88 R:R:W246 3.89 0 No Yes 6 8 2 1
R:R:F168 R:R:V172 14.42 1 Yes No 4 3 1 2
R:R:F168 R:R:M177 7.46 1 Yes Yes 4 6 1 1
L:L:?2 R:R:F168 33.13 1 Yes Yes 0 4 0 1
R:R:E169 R:R:M174 5.41 1 No Yes 3 4 1 2
R:R:E169 R:R:H264 11.08 1 No No 3 2 1 1
L:L:?2 R:R:E169 11.31 1 Yes No 0 3 0 1
R:R:M177 R:R:V172 3.04 1 Yes No 6 3 1 2
R:R:M174 R:R:N253 9.82 0 Yes No 4 5 2 1
R:R:M174 R:R:T256 3.01 0 Yes No 4 4 2 2
R:R:M177 R:R:Y176 3.59 1 Yes Yes 6 6 1 2
R:R:N181 R:R:Y176 9.3 1 No Yes 5 6 2 2
L:L:?2 R:R:M177 5.28 1 Yes Yes 0 6 0 1
R:R:H250 R:R:N181 3.83 1 Yes No 6 5 1 2
R:R:F182 R:R:V186 3.93 1 Yes No 5 7 2 2
R:R:F182 R:R:H250 26.02 1 Yes Yes 5 6 2 1
R:R:H250 R:R:V186 6.92 1 Yes No 6 7 1 2
R:R:F242 R:R:W246 17.04 1 Yes Yes 9 8 2 1
R:R:H250 R:R:W246 3.17 1 Yes Yes 6 8 1 1
R:R:A277 R:R:W246 7.78 0 No Yes 7 8 2 1
L:L:?2 R:R:W246 3.04 1 Yes Yes 0 8 0 1
R:R:A273 R:R:L249 3.15 0 No No 6 5 2 1
L:L:?2 R:R:L249 16.98 1 Yes No 0 5 0 1
L:L:?2 R:R:H250 6.17 1 Yes Yes 0 6 0 1
L:L:?2 R:R:N253 10.25 1 Yes No 0 5 0 1
R:R:H264 R:R:T256 10.95 1 No No 2 4 1 2
L:L:?2 R:R:H264 22.63 1 Yes No 0 2 0 1
L:L:?2 R:R:M270 9.8 1 Yes No 0 4 0 1
R:R:H278 R:R:I274 3.98 3 Yes No 6 4 2 1
L:L:?2 R:R:I274 3.81 1 Yes No 0 4 0 1
R:R:I252 R:R:M270 2.92 0 No No 5 4 2 1
R:R:A81 R:R:F168 2.77 0 No Yes 5 4 2 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub4.00
Average Interaction Strength12.24
Average Nodes In Shell25.00
Average Hubs In Shell10.00
Average Links In Shell32.00
Average Links Mediated by Hubs In Shell28.00
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 Links10.00
Average Number Of Links With An Hub4.00
Average Interaction Strength12.24
Average Nodes In Shell25.00
Average Hubs In Shell10.00
Average Links In Shell32.00
Average Links Mediated by Hubs In Shell28.00

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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 🔍)