CodeT4E
Name4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol
Synonyms
Identifier4-(3-azanyl-5-phenyl-1,2,4-triazin-6-yl)-2-chloranyl-phenol
FormulaC15 H11 Cl N4 O
Molecular Weight298.727
SMILESc1ccc(cc1)c2c(nnc(n2)N)c3ccc(c(c3)Cl)O
PubChem135566609
Formal Charge0
Total Atoms32
Total Chiral Atoms0
Total Bonds34
Total Aromatic Bonds18
Networks4
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This ligand is also present in the following 4 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
3UZC A Nucleotide Adenosine A2A Homo sapiens PubChem 135566609 - - 3.34 2012-03-21 10.1021/jm201376w

A 2D representation of the interactions of T4E in 3UZC
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:E13 R:R:I60 4.1 1 Yes Yes 6 6 2 2
R:R:E13 R:R:H278 9.85 1 Yes Yes 6 6 2 1
R:R:H278 R:R:I60 7.95 1 Yes Yes 6 6 1 2
R:R:F168 R:R:I66 5.02 1 Yes No 4 4 1 2
L:L:?1 R:R:V84 9.99 1 Yes No 0 6 0 1
R:R:L85 R:R:M177 4.24 0 No Yes 4 6 2 1
R:R:A88 R:R:W246 3.89 0 No Yes 6 8 2 1
R:R:F168 R:R:V172 7.87 1 Yes No 4 3 1 2
R:R:F168 R:R:M177 3.73 1 Yes Yes 4 6 1 1
L:L:?1 R:R:F168 26.13 1 Yes Yes 0 4 0 1
R:R:M177 R:R:Y176 3.59 1 Yes Yes 6 6 1 2
L:L:?1 R:R:M177 5.69 1 Yes Yes 0 6 0 1
R:R:F182 R:R:V186 3.93 1 Yes No 5 7 2 2
R:R:F182 R:R:H250 22.63 1 Yes No 5 6 2 1
R:R:H250 R:R:V186 4.15 1 No No 6 7 1 2
R:R:F242 R:R:W246 18.04 1 Yes Yes 9 8 2 1
R:R:F242 R:R:N280 6.04 1 Yes No 9 9 2 2
R:R:A277 R:R:W246 9.08 0 No Yes 7 8 2 1
R:R:N280 R:R:W246 4.52 1 No Yes 9 8 2 1
L:L:?1 R:R:W246 3.82 1 Yes Yes 0 8 0 1
R:R:A273 R:R:L249 4.73 0 No No 6 5 2 1
L:L:?1 R:R:L249 20.41 1 Yes No 0 5 0 1
L:L:?1 R:R:H250 7.76 1 Yes No 0 6 0 1
L:L:?1 R:R:N253 12.89 1 Yes No 0 5 0 1
R:R:H278 R:R:I274 3.98 1 Yes No 6 4 1 1
L:L:?1 R:R:I274 17.22 1 Yes No 0 4 0 1
L:L:?1 R:R:H278 9.48 1 Yes Yes 0 6 0 1
R:R:A63 R:R:H278 2.93 0 No Yes 5 6 2 1
R:R:I252 R:R:M270 2.92 0 No No 5 4 2 1
L:L:?1 R:R:M270 2.84 1 Yes No 0 4 0 1
R:R:E169 R:R:F168 1.17 1 No Yes 3 4 2 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub4.00
Average Interaction Strength11.62
Average Nodes In Shell27.00
Average Hubs In Shell10.00
Average Links In Shell31.00
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 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
5OLZ A Nucleotide Adenosine A2A Homo sapiens PubChem 135566609 Na - 1.9 2018-01-17 10.1038/s41598-017-18570-w

A 2D representation of the interactions of T4E in 5OLZ
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:E13 R:R:Y9 15.71 1 Yes Yes 6 5 2 2
R:R:I274 R:R:Y9 6.04 1 No Yes 4 5 1 2
R:R:E13 R:R:I60 8.2 1 Yes Yes 6 6 2 2
R:R:E13 R:R:H278 13.54 1 Yes Yes 6 6 2 1
R:R:A59 R:R:V84 3.39 0 No No 6 6 2 1
R:R:H278 R:R:I60 11.93 1 Yes Yes 6 6 1 2
L:L:?1 R:R:V84 11.98 1 Yes No 0 6 0 1
R:R:L85 R:R:Y176 3.52 1 No Yes 4 6 2 2
R:R:L85 R:R:M177 4.24 1 No Yes 4 6 2 1
R:R:L85 R:R:N181 8.24 1 No No 4 5 2 2
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:?1 R:R:F168 32.66 1 Yes Yes 0 4 0 1
R:R:E169 R:R:M174 5.41 0 No No 3 4 1 2
R:R:E169 R:R:H264 11.08 0 No No 3 2 1 2
L:L:?1 R:R:E169 7.11 1 Yes No 0 3 0 1
R:R:M174 R:R:N253 9.82 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 9.3 1 No Yes 5 6 2 2
R:R:M177 R:R:N253 4.21 1 Yes No 6 5 1 1
L:L:?1 R:R:M177 6.63 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 Yes 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 Yes 6 7 1 2
R:R:F242 R:R:W246 18.04 1 Yes Yes 9 8 2 1
R:R:F242 R:R:N280 8.46 1 Yes Yes 9 9 2 2
R:R:A277 R:R:W246 7.78 0 No Yes 7 8 2 1
R:R:N280 R:R:W246 3.39 1 Yes Yes 9 8 2 1
L:L:?1 R:R:W246 5.34 1 Yes Yes 0 8 0 1
L:L:?1 R:R:L249 13.92 1 Yes No 0 5 0 1
L:L:?1 R:R:H250 6.9 1 Yes Yes 0 6 0 1
L:L:?1 R:R:N253 11.97 1 Yes No 0 5 0 1
R:R:H278 R:R:I274 3.98 1 Yes No 6 4 1 1
L:L:?1 R:R:I274 13.4 1 Yes No 0 4 0 1
L:L:?1 R:R:H278 7.76 1 Yes Yes 0 6 0 1
L:L:?1 R:R:A63 3.17 1 Yes No 0 5 0 1
R:R:A273 R:R:L249 3.15 0 No No 6 5 2 1
R:R:A81 R:R:F168 2.77 0 No Yes 5 4 2 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub5.00
Average Interaction Strength10.99
Average Nodes In Shell30.00
Average Hubs In Shell14.00
Average Links In Shell40.00
Average Links Mediated by Hubs In Shell34.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
5OM1 A Nucleotide Adenosine A2A Homo sapiens PubChem 135566609 Na - 2.1 2018-01-17 10.1038/s41598-017-18570-w

A 2D representation of the interactions of T4E in 5OM1
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:E13 R:R:Y9 14.59 1 Yes Yes 6 5 2 2
R:R:I274 R:R:Y9 6.04 1 No Yes 4 5 1 2
R:R:E13 R:R:I60 8.2 1 Yes Yes 6 6 2 2
R:R:E13 R:R:H278 13.54 1 Yes Yes 6 6 2 1
R:R:H278 R:R:I60 11.93 1 Yes Yes 6 6 1 2
L:L:?1 R:R:V84 11.98 1 Yes No 0 6 0 1
R:R:L85 R:R:Y176 3.52 1 No Yes 4 6 2 2
R:R:L85 R:R:M177 4.24 1 No Yes 4 6 2 1
R:R:L85 R:R:N181 8.24 1 No No 4 5 2 2
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 6.22 1 Yes Yes 4 6 1 1
L:L:?1 R:R:F168 31.03 1 Yes Yes 0 4 0 1
R:R:E169 R:R:M174 5.41 0 No No 3 4 1 2
R:R:E169 R:R:H264 9.85 0 No No 3 2 1 2
L:L:?1 R:R:E169 7.11 1 Yes No 0 3 0 1
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 9.3 1 No Yes 5 6 2 2
L:L:?1 R:R:M177 6.63 1 Yes Yes 0 6 0 1
R:R:H250 R:R:N181 3.83 0 Yes No 6 5 1 2
R:R:F182 R:R:H250 26.02 4 Yes Yes 5 6 2 1
R:R:H250 R:R:V186 6.92 0 Yes No 6 7 1 2
R:R:F242 R:R:W246 16.04 7 Yes Yes 9 8 2 1
R:R:A277 R:R:W246 7.78 0 No Yes 7 8 2 1
L:L:?1 R:R:W246 5.34 1 Yes Yes 0 8 0 1
L:L:?1 R:R:L249 14.85 1 Yes No 0 5 0 1
L:L:?1 R:R:H250 6.9 1 Yes Yes 0 6 0 1
L:L:?1 R:R:N253 11.97 1 Yes No 0 5 0 1
R:R:H278 R:R:I274 3.98 1 Yes No 6 4 1 1
L:L:?1 R:R:I274 13.4 1 Yes No 0 4 0 1
L:L:?1 R:R:H278 7.76 1 Yes Yes 0 6 0 1
L:L:?1 R:R:A63 3.17 1 Yes No 0 5 0 1
R:R:A273 R:R:L249 3.15 0 No No 6 5 2 1
R:R:A81 R:R:F168 2.77 0 No Yes 5 4 2 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub5.00
Average Interaction Strength10.92
Average Nodes In Shell28.00
Average Hubs In Shell12.00
Average Links In Shell35.00
Average Links Mediated by Hubs In Shell30.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
5OM4 A Nucleotide Adenosine A2A Homo sapiens PubChem 135566609 Na - 2 2018-01-17 10.1038/s41598-017-18570-w

A 2D representation of the interactions of T4E in 5OM4
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:E13 R:R:Y9 14.59 1 Yes Yes 6 5 2 2
R:R:I274 R:R:Y9 6.04 1 No Yes 4 5 1 2
R:R:E13 R:R:I60 6.83 1 Yes Yes 6 6 2 2
R:R:E13 R:R:H278 13.54 1 Yes Yes 6 6 2 1
R:R:H278 R:R:I60 11.93 1 Yes Yes 6 6 1 2
L:L:?1 R:R:V84 12.98 1 Yes No 0 6 0 1
R:R:L85 R:R:Y176 3.52 1 No Yes 4 6 2 2
R:R:L85 R:R:M177 4.24 1 No Yes 4 6 2 1
R:R:L85 R:R:N181 8.24 1 No No 4 5 2 2
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:?1 R:R:F168 32.66 1 Yes Yes 0 4 0 1
R:R:E169 R:R:M174 5.41 0 No No 3 4 1 2
R:R:E169 R:R:H264 11.08 0 No No 3 2 1 2
L:L:?1 R:R:E169 8 1 Yes No 0 3 0 1
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 10.47 1 No Yes 5 6 2 2
L:L:?1 R:R:M177 6.63 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 Yes 5 7 2 2
R:R:F182 R:R:H250 27.15 1 Yes Yes 5 6 2 1
R:R:H250 R:R:V186 6.92 1 Yes Yes 6 7 1 2
R:R:F242 R:R:W246 16.04 6 Yes Yes 9 8 2 1
R:R:A277 R:R:W246 7.78 0 No Yes 7 8 2 1
L:L:?1 R:R:W246 5.34 1 Yes Yes 0 8 0 1
L:L:?1 R:R:L249 14.85 1 Yes No 0 5 0 1
L:L:?1 R:R:H250 6.9 1 Yes Yes 0 6 0 1
R:R:I252 R:R:M270 4.37 0 No No 5 4 2 1
L:L:?1 R:R:N253 11.97 1 Yes No 0 5 0 1
R:R:H278 R:R:I274 3.98 1 Yes No 6 4 1 1
L:L:?1 R:R:I274 12.44 1 Yes No 0 4 0 1
L:L:?1 R:R:H278 7.76 1 Yes Yes 0 6 0 1
L:L:?1 R:R:A63 3.17 1 Yes No 0 5 0 1
R:R:A273 R:R:L249 3.15 0 No No 6 5 2 1
L:L:?1 R:R:M270 2.84 1 Yes No 0 4 0 1
R:R:A81 R:R:F168 2.77 0 No Yes 5 4 2 1
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub5.00
Average Interaction Strength10.46
Average Nodes In Shell30.00
Average Hubs In Shell13.00
Average Links In Shell38.00
Average Links Mediated by Hubs In Shell32.00
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 Hub4.75
Average Interaction Strength11.00
Average Nodes In Shell28.75
Average Hubs In Shell12.25
Average Links In Shell36.00
Average Links Mediated by Hubs In Shell31.00

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Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

missing image


Location of the nodes interacting with this ligand

(Click to enlarge 🔍)