CodeTKO
Name(4M)-6-bromo-4-(furan-2-yl)quinazolin-2-amine
Synonyms
Identifier6-bromanyl-4-(furan-2-yl)quinazolin-2-amine
FormulaC12 H8 Br N3 O
Molecular Weight290.115
SMILESc1cc(oc1)c2c3cc(ccc3nc(n2)N)Br
PubChem105526064
Formal Charge0
Total Atoms25
Total Chiral Atoms0
Total Bonds27
Total Aromatic Bonds16
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
8DU3 A Nucleotide Adenosine A2A Homo sapiens PubChem 105526064 - - 2.5 2022-08-10 10.1016/j.ejmech.2022.114620

A 2D representation of the interactions of TKO in 8DU3
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:I274 R:R:Y9 3.63 0 No Yes 4 5 1 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 No 4 6 1 1
L:L:?1 R:R:F168 40.71 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:?1 R:R:E169 6.46 1 Yes No 0 3 0 1
R:R:M174 R:R:N253 8.41 0 Yes No 4 5 2 1
R:R:M177 R:R:Y176 3.59 1 No Yes 6 6 1 2
R:R:N181 R:R:Y176 8.14 1 No Yes 5 6 2 2
L:L:?1 R:R:M177 6.89 1 Yes No 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 23.76 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 15.03 0 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 4.76 1 Yes Yes 0 8 0 1
R:R:A273 R:R:L249 3.15 0 No No 6 5 2 1
L:L:?1 R:R:L249 19.28 1 Yes No 0 5 0 1
L:L:?1 R:R:H250 8.06 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 13.39 1 Yes No 0 5 0 1
R:R:H278 R:R:I274 3.98 2 Yes No 6 4 2 1
L:L:?1 R:R:I274 9.94 1 Yes No 0 4 0 1
L:L:?1 R:R:M270 2.95 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 Links9.00
Average Number Of Links With An Hub3.00
Average Interaction Strength12.49
Average Nodes In Shell25.00
Average Hubs In Shell10.00
Average Links In Shell28.00
Average Links Mediated by Hubs In Shell25.00
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 Links9.00
Average Number Of Links With An Hub3.00
Average Interaction Strength12.49
Average Nodes In Shell25.00
Average Hubs In Shell10.00
Average Links In Shell28.00
Average Links Mediated by Hubs In Shell25.00

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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 🔍)