CodeJQR
Name~{N}-[4-(furan-2-yl)-5-(oxan-4-ylcarbonyl)-1,3-thiazol-2-yl]-6-methyl-pyridine-3-carboxamide
Synonyms
Identifier~{N}-[4-(furan-2-yl)-5-(oxan-4-ylcarbonyl)-1,3-thiazol-2-yl]-6-methyl-pyridine-3-carboxamide
FormulaC20 H19 N3 O4 S
Molecular Weight397.448
SMILESCc1ccc(cn1)C(=O)Nc2nc(c(s2)C(=O)C3CCOCC3)c4ccco4
PubChem23144148
Formal Charge0
Total Atoms47
Total Chiral Atoms0
Total Bonds50
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
8GNE A Nucleotide Adenosine A2A Homo sapiens KW-6356 Na - 2.3 2023-03-22 10.1124/molpharm.122.000633

A 2D representation of the interactions of JQR in 8GNE
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 6.04 0 No Yes 4 5 1 2
R:R:I66 R:R:I80 4.42 0 No No 4 6 1 2
R:R:C166 R:R:I66 3.27 0 No No 9 4 2 1
L:L:?1 R:R:I66 3.45 1 Yes No 0 4 0 1
R:R:T88 R:R:W246 8.49 0 No Yes 6 8 2 1
R:R:F168 R:R:V172 15.73 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 29.43 1 Yes Yes 0 4 0 1
L:L:?1 R:R:E169 10.41 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:M177 4.33 1 Yes Yes 4 6 2 1
R:R:M174 R:R:N253 7.01 1 Yes No 4 5 2 1
R:R:M174 R:R:T256 3.01 1 Yes No 4 4 2 1
R:R:M177 R:R:Y176 3.59 1 Yes Yes 6 6 1 2
R:R:N181 R:R:Y176 4.65 1 Yes Yes 5 6 2 2
R:R:M177 R:R:N181 5.61 1 Yes Yes 6 5 1 2
R:R:M177 R:R:N253 4.21 1 Yes No 6 5 1 1
L:L:?1 R:R:M177 5.98 1 Yes Yes 0 6 0 1
R:R:N181 R:R:V186 2.96 1 Yes No 5 7 2 2
R:R:H250 R:R:N181 3.83 1 Yes Yes 6 5 1 2
R:R:F182 R:R:H250 28.28 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 11.02 0 Yes Yes 9 8 2 1
R:R:S277 R:R:W246 12.36 0 No Yes 7 8 2 1
L:L:?1 R:R:W246 4.13 1 Yes Yes 0 8 0 1
R:R:L249 R:R:S277 3 0 No No 5 7 1 2
L:L:?1 R:R:L249 18.39 1 Yes No 0 5 0 1
L:L:?1 R:R:H250 7.77 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 15.76 1 Yes No 0 5 0 1
L:L:?1 R:R:T256 8.01 1 Yes No 0 4 0 1
L:L:?1 R:R:H264 4.66 1 Yes No 0 2 0 1
L:L:?1 R:R:M270 9.39 1 Yes No 0 4 0 1
R:R:H278 R:R:I274 3.98 3 Yes No 6 4 2 1
L:L:?1 R:R:I274 3.45 1 Yes No 0 4 0 1
R:R:H278 R:R:S277 4.18 3 Yes No 6 7 2 2
R:R:A81 R:R:F168 2.77 0 No Yes 5 4 2 1
R:R:E169 R:R:L167 2.65 0 No Yes 3 4 1 2
R:R:A265 R:R:M270 1.61 0 No No 4 4 2 1
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub4.00
Average Interaction Strength10.07
Average Nodes In Shell30.00
Average Hubs In Shell13.00
Average Links In Shell39.00
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 🔍)
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub4.00
Average Interaction Strength10.07
Average Nodes In Shell30.00
Average Hubs In Shell13.00
Average Links In Shell39.00
Average Links Mediated by Hubs In Shell34.00

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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 🔍)