CodeF9Q
NameImaradenant
SynonymsImaradenant
Identifier6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
FormulaC15 H11 Cl F N5
Molecular Weight315.733
SMILESCc1cc(cc(n1)Cl)c2c(nc(nn2)N)c3ccc(cc3)F
PubChem86676119
Formal Charge0
Total Atoms33
Total Chiral Atoms0
Total Bonds35
Total Aromatic Bonds18
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
6GT3 A Nucleotide Adenosine A2A Homo sapiens Imaradenant Na - 2 2019-06-26 10.1136/jitc-2019-000417

A 2D representation of the interactions of F9Q in 6GT3
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 16.83 1 No 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 5.47 1 No Yes 6 6 2 2
R:R:E13 R:R:H278 13.54 1 No 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 10.61 1 Yes Yes 6 6 1 2
L:L:?2 R:R:A63 3 1 Yes No 0 5 0 1
R:R:C82 R:R:L85 3.17 0 No Yes 5 4 2 1
L:L:?2 R:R:V84 7.57 1 Yes No 0 6 0 1
R:R:L85 R:R:Y176 3.52 1 Yes Yes 4 6 1 2
R:R:L85 R:R:M177 4.24 1 Yes Yes 4 6 1 1
R:R:L85 R:R:N181 6.87 1 Yes No 4 5 1 2
L:L:?2 R:R:L85 3.52 1 Yes Yes 0 4 0 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 31.72 1 Yes Yes 0 4 0 1
R:R:E169 R:R:M174 5.41 0 No Yes 3 4 1 2
R:R:E169 R:R:H264 11.08 0 No No 3 2 1 2
L:L:?2 R:R:E169 7.58 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 Yes 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:?2 R:R:M177 6.29 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 22.63 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 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 7.24 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 13.19 1 Yes No 0 5 0 1
L:L:?2 R:R:H250 9.8 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 12.21 1 Yes No 0 5 0 1
R:R:H278 R:R:I274 3.98 1 Yes No 6 4 1 1
L:L:?2 R:R:I274 9.07 1 Yes No 0 4 0 1
L:L:?2 R:R:H278 4.08 1 Yes Yes 0 6 0 1
R:R:A81 R:R:F168 2.77 0 No Yes 5 4 2 1
L:L:?2 R:R:M270 2.69 1 Yes No 0 4 0 1
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub6.00
Average Interaction Strength9.07
Average Nodes In Shell32.00
Average Hubs In Shell14.00
Average Links In Shell44.00
Average Links Mediated by Hubs In Shell40.00
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 Links13.00
Average Number Of Links With An Hub6.00
Average Interaction Strength9.07
Average Nodes In Shell32.00
Average Hubs In Shell14.00
Average Links In Shell44.00
Average Links Mediated by Hubs In Shell40.00

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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 🔍)