CodeQGE
Name[3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate
Synonyms
Identifier[3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate
FormulaC18 H17 N O4 S
Molecular Weight343.397
SMILESCCCc1cc2c(cc1OC(=O)C)OC=C(C2=O)c3nc(cs3)C
PubChem740769
Formal Charge0
Total Atoms41
Total Chiral Atoms0
Total Bonds43
Total Aromatic Bonds11
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
6ZDR A Nucleotide Adenosine A2A Homo sapiens HMS1413f12 Na - 1.92 2020-09-16 10.1002/anie.202003788

A 2D representation of the interactions of QGE in 6ZDR
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:L85 R:R:Y176 3.52 1 Yes Yes 4 6 2 2
R:R:L85 R:R:M177 4.24 1 Yes 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 11.8 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 39.05 1 Yes Yes 0 4 0 1
R:R:E169 R:R:T256 7.06 1 No No 3 4 1 2
R:R:E169 R:R:H264 11.08 1 No Yes 3 2 1 1
L:L:?1 R:R:E169 16.34 1 Yes No 0 3 0 1
R:R:M174 R:R:M177 5.78 0 No Yes 4 6 2 1
R:R:M174 R:R:N253 4.21 0 No No 4 5 2 1
R:R:M177 R:R:Y176 3.59 1 Yes Yes 6 6 1 2
L:L:?1 R:R:M177 4.36 1 Yes Yes 0 6 0 1
R:R:F182 R:R:H250 24.89 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 15.03 0 Yes Yes 9 8 2 1
R:R:H250 R:R:W246 4.23 1 Yes Yes 6 8 1 1
R:R:A277 R:R:W246 7.78 0 No Yes 7 8 2 1
L:L:?1 R:R:W246 3.51 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 13.66 1 Yes No 0 5 0 1
L:L:?1 R:R:H250 3.96 1 Yes Yes 0 6 0 1
L:L:?1 R:R:N253 10.16 1 Yes No 0 5 0 1
R:R:H264 R:R:T256 12.32 1 Yes No 2 4 1 2
R:R:H264 R:R:M270 5.25 1 Yes No 2 4 1 1
L:L:?1 R:R:H264 3.96 1 Yes Yes 0 2 0 1
L:L:?1 R:R:M270 9.59 1 Yes No 0 4 0 1
R:R:H278 R:R:I274 3.98 5 Yes No 6 4 2 1
L:L:?1 R:R:I274 7.92 1 Yes No 0 4 0 1
R:R:I252 R:R:M270 2.92 0 No No 5 4 2 1
R:R:A81 R:R:F168 2.77 0 No Yes 5 4 2 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub5.00
Average Interaction Strength11.25
Average Nodes In Shell25.00
Average Hubs In Shell11.00
Average Links In Shell31.00
Average Links Mediated by Hubs In Shell27.00
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 Links10.00
Average Number Of Links With An Hub5.00
Average Interaction Strength11.25
Average Nodes In Shell25.00
Average Hubs In Shell11.00
Average Links In Shell31.00
Average Links Mediated by Hubs In Shell27.00

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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 🔍)