Code6DZ
Name2-(furan-2-yl)-N~5~-[2-(4-methylpiperazin-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-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
FormulaC15 H21 N9 O
Molecular Weight343.387
SMILESCN1CCN(CC1)CCNc2nc(n3c(n2)nc(n3)c4ccco4)N
PubChem121225598
Formal Charge0
Total Atoms46
Total Chiral Atoms0
Total Bonds49
Total Aromatic Bonds15
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
5IU8 A Nucleotide Adenosine A2A Homo sapiens Q27456347 Na - 2 2016-06-29 10.1021/acs.jmedchem.6b00653

A 2D representation of the interactions of 6DZ in 5IU8
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 20.85 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 13.11 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 36.05 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 Yes 3 2 1 1
L:L:?2 R:R:E169 12.81 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 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 8.14 1 No Yes 5 6 2 2
L:L:?2 R:R:M177 5.98 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:H250 26.02 0 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 9.08 0 No Yes 7 8 2 1
L:L:?2 R:R:W246 4.13 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 16.72 1 Yes No 0 5 0 1
L:L:?2 R:R:H250 6.99 1 Yes Yes 0 6 0 1
R:R:I252 R:R:M270 4.37 0 No No 5 4 2 1
L:L:?2 R:R:N253 10.78 1 Yes No 0 5 0 1
R:R:H264 R:R:T256 10.95 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 4.66 1 Yes Yes 0 2 0 1
R:R:L267 R:R:Y271 7.03 0 No Yes 3 3 2 1
L:L:?2 R:R:M270 4.27 1 Yes No 0 4 0 1
L:L:?2 R:R:Y271 3.54 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 4.31 1 Yes No 0 4 0 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 Links11.00
Average Number Of Links With An Hub6.00
Average Interaction Strength10.02
Average Nodes In Shell30.00
Average Hubs In Shell12.00
Average Links In Shell38.00
Average Links Mediated by Hubs In Shell35.00
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 Hub6.00
Average Interaction Strength10.02
Average Nodes In Shell30.00
Average Hubs In Shell12.00
Average Links In Shell38.00
Average Links Mediated by Hubs In Shell35.00

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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 🔍)