CodeQGW
Name[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate
Synonyms
Identifier[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate
FormulaC19 H19 N O4 S
Molecular Weight357.423
SMILESCCCc1cc2c(cc1OC(=O)C)OC(=C(C2=O)c3nc(cs3)C)C
PubChem984073
Formal Charge0
Total Atoms44
Total Chiral Atoms0
Total Bonds46
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
6ZDV A Nucleotide Adenosine A2A Homo sapiens PubChem 984073 Na - 2.13 2020-09-16 10.1002/anie.202003788

A 2D representation of the interactions of QGW in 6ZDV
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 13.47 3 Yes Yes 6 5 2 1
R:R:S67 R:R:Y9 3.82 0 No Yes 3 5 2 1
R:R:Y271 R:R:Y9 22.84 0 No Yes 3 5 2 1
L:L:?1 R:R:Y9 5.24 1 Yes Yes 0 5 0 1
R:R:E13 R:R:H278 13.54 3 Yes No 6 6 2 2
R:R:C166 R:R:I66 6.55 0 No No 9 4 2 1
L:L:?1 R:R:I66 4.56 1 Yes No 0 4 0 1
R:R:G69 R:R:L167 3.42 0 No No 4 4 2 1
R:R:D170 R:R:L167 8.14 8 No No 4 4 2 1
L:L:?1 R:R:L167 3.54 1 Yes No 0 4 0 1
R:R:F168 R:R:V172 13.11 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 45.13 1 Yes Yes 0 4 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 8.14 1 No Yes 5 6 2 2
R:R:M177 R:R:N181 4.21 1 Yes No 6 5 1 2
L:L:?1 R:R:M177 3.61 1 Yes Yes 0 6 0 1
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 No 5 6 2 1
R:R:H250 R:R:V186 5.54 1 No Yes 6 7 1 2
L:L:?1 R:R:L249 14.15 1 Yes No 0 5 0 1
L:L:?1 R:R:H250 4.11 1 Yes No 0 6 0 1
L:L:?1 R:R:N253 5.26 1 Yes No 0 5 0 1
R:R:H278 R:R:I274 3.98 3 No No 6 4 2 1
L:L:?1 R:R:I274 11.85 1 Yes No 0 4 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
L:L:?1 R:R:A63 2.01 1 Yes No 0 5 0 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub3.00
Average Interaction Strength9.95
Average Nodes In Shell26.00
Average Hubs In Shell8.00
Average Links In Shell29.00
Average Links Mediated by Hubs In Shell23.00
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 Hub3.00
Average Interaction Strength9.95
Average Nodes In Shell26.00
Average Hubs In Shell8.00
Average Links In Shell29.00
Average Links Mediated by Hubs In Shell23.00

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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 🔍)