Code6DX
Name2-(furan-2-yl)-N~5~-[3-(4-phenylpiperazin-1-yl)propyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
Synonyms
Identifier2-(furan-2-yl)-~{N}5-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
FormulaC21 H25 N9 O
Molecular Weight419.483
SMILESc1ccc(cc1)N2CCN(CC2)CCCNc3nc(n4c(n3)nc(n4)c5ccco5)N
PubChem44394688
Formal Charge0
Total Atoms56
Total Chiral Atoms0
Total Bonds60
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
5IUA A Nucleotide Adenosine A2A Homo sapiens Q27456348 Na - 2.2 2016-06-29 10.1021/acs.jmedchem.6b00653

A 2D representation of the interactions of 6DX in 5IUA
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 5.09 1 No No 3 5 2 2
R:R:Y271 R:R:Y9 18.86 1 Yes No 3 5 1 2
R:R:S67 R:R:Y271 3.82 1 No Yes 3 3 2 1
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 34.76 1 Yes Yes 0 4 0 1
R:R:E169 R:R:M174 5.41 1 No No 3 4 1 2
R:R:E169 R:R:H264 11.08 1 No Yes 3 2 1 1
L:L:?2 R:R:E169 11.58 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 8.41 0 No No 4 5 2 1
R:R:M177 R:R:Y176 3.59 1 Yes Yes 6 6 1 2
R:R:N181 R:R:Y176 8.14 1 No Yes 5 6 2 2
L:L:?2 R:R:M177 5.76 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 5.54 1 Yes No 6 7 1 2
R:R:F242 R:R:W246 17.04 1 Yes Yes 9 8 2 1
R:R:F242 R:R:N280 8.46 1 Yes Yes 9 9 2 2
R:R:H250 R:R:W246 3.17 1 Yes Yes 6 8 1 1
R:R:A277 R:R:W246 9.08 0 No Yes 7 8 2 1
R:R:N280 R:R:W246 3.39 1 Yes Yes 9 8 2 1
L:L:?2 R:R:W246 3.98 1 Yes Yes 0 8 0 1
R:R:A273 R:R:L249 4.73 0 No No 6 5 2 1
L:L:?2 R:R:L249 15.32 1 Yes No 0 5 0 1
L:L:?2 R:R:H250 6.74 1 Yes Yes 0 6 0 1
L:L:?2 R:R:N253 10.4 1 Yes No 0 5 0 1
R:R:H264 R:R:T256 12.32 1 Yes No 2 4 1 2
R:R:H264 R:R:M270 5.25 1 Yes No 2 4 1 1
L:L:?2 R:R:H264 11.98 1 Yes Yes 0 2 0 1
R:R:L267 R:R:Y271 4.69 1 No Yes 3 3 1 1
L:L:?2 R:R:L267 4.03 1 Yes No 0 3 0 1
L:L:?2 R:R:M270 6.59 1 Yes No 0 4 0 1
L:L:?2 R:R:Y271 4.78 1 Yes Yes 0 3 0 1
R:R:H278 R:R:I274 3.98 1 Yes No 6 4 2 1
L:L:?2 R:R:I274 4.16 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
R:R:F168 R:R:I66 2.51 1 Yes No 4 4 1 2
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub6.00
Average Interaction Strength10.01
Average Nodes In Shell31.00
Average Hubs In Shell12.00
Average Links In Shell41.00
Average Links Mediated by Hubs In Shell36.00
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 Links12.00
Average Number Of Links With An Hub6.00
Average Interaction Strength10.01
Average Nodes In Shell31.00
Average Hubs In Shell12.00
Average Links In Shell41.00
Average Links Mediated by Hubs In Shell36.00

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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 🔍)