CodeWCH
Name(2S,3S,4R,5R)-5-(6-amino-2-((E)-phenyldiazenyl)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide
Synonyms
Identifier
FormulaC18 H20 N8 O4
Molecular Weight412.403
SMILES
PubChem
Formal Charge0
Total Atoms50
Total Chiral Atoms4
Total Bonds53
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
8WDT A Nucleotide Adenosine A2A Homo Sapiens photoNECA - - 3.34 2024-01-17 doi.org/10.1016/j.bbrc.2023.149393

A 2D representation of the interactions of WCH in 8WDT
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 14.59 1 Yes Yes 6 5 2 2
R:R:Y271 R:R:Y9 15.89 1 No Yes 3 5 1 2
R:R:I274 R:R:Y9 3.63 1 Yes Yes 4 5 1 2
R:R:E13 R:R:I60 8.2 1 Yes Yes 6 6 2 2
R:R:E13 R:R:I274 4.1 1 Yes Yes 6 4 2 1
R:R:E13 R:R:H278 13.54 1 Yes Yes 6 6 2 1
R:R:H278 R:R:I60 11.93 1 Yes Yes 6 6 1 2
R:R:F168 R:R:L85 6.09 1 Yes No 4 4 1 1
R:R:L85 R:R:Y176 3.52 1 No Yes 4 6 1 2
L:L:?1 R:R:L85 4.29 1 Yes No 0 4 0 1
R:R:T88 R:R:W246 6.06 1 No Yes 6 8 1 1
L:L:?1 R:R:T88 11.88 1 Yes No 0 6 0 1
R:R:N181 R:R:Q89 5.28 1 Yes Yes 5 5 1 2
R:R:C185 R:R:Q89 9.16 1 No Yes 5 5 2 2
R:R:F242 R:R:I92 8.79 1 Yes Yes 9 7 2 2
R:R:I92 R:R:W246 11.74 1 Yes Yes 7 8 2 1
R:R:D170 R:R:L167 8.14 0 No No 4 4 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 Yes 4 6 1 2
L:L:?1 R:R:F168 33.22 1 Yes Yes 0 4 0 1
R:R:E169 R:R:H264 8.62 0 No No 3 2 1 2
L:L:?1 R:R:E169 5.75 1 Yes No 0 3 0 1
R:R:M177 R:R:V172 3.04 1 Yes No 6 3 2 2
R:R:M174 R:R:N253 4.21 0 No No 4 5 2 1
R:R:M177 R:R:Y176 4.79 1 Yes Yes 6 6 2 2
R:R:N181 R:R:Y176 4.65 1 Yes Yes 5 6 1 2
R:R:M177 R:R:N181 8.41 1 Yes Yes 6 5 2 1
R:R:M177 R:R:N253 4.21 1 Yes No 6 5 2 1
R:R:C185 R:R:N181 3.15 1 No Yes 5 5 2 1
R:R:H250 R:R:N181 5.1 1 Yes Yes 6 5 1 1
L:L:?1 R:R:N181 3.4 1 Yes Yes 0 5 0 1
R:R:F182 R:R:H250 9.05 0 No Yes 5 6 2 1
R:R:H250 R:R:V186 11.07 1 Yes No 6 7 1 2
R:R:F242 R:R:W246 7.02 1 Yes Yes 9 8 2 1
R:R:F242 R:R:N280 3.62 1 Yes Yes 9 9 2 2
R:R:H250 R:R:W246 3.17 1 Yes Yes 6 8 1 1
R:R:S277 R:R:W246 7.41 1 Yes Yes 7 8 1 1
R:R:N280 R:R:W246 12.43 1 Yes Yes 9 8 2 1
L:L:?1 R:R:W246 14.12 1 Yes Yes 0 8 0 1
R:R:A273 R:R:L249 4.73 0 No No 6 5 2 1
R:R:L249 R:R:S277 3 1 No Yes 5 7 1 1
L:L:?1 R:R:L249 10.3 1 Yes No 0 5 0 1
L:L:?1 R:R:H250 4.78 1 Yes Yes 0 6 0 1
L:L:?1 R:R:N253 8.51 1 Yes No 0 5 0 1
R:R:A265 R:R:M270 3.22 0 No No 4 4 2 1
R:R:L267 R:R:Y271 8.21 1 No No 3 3 1 1
L:L:?1 R:R:L267 5.15 1 Yes No 0 3 0 1
L:L:?1 R:R:M270 4.38 1 Yes No 0 4 0 1
L:L:?1 R:R:Y271 6.54 1 Yes No 0 3 0 1
R:R:I274 R:R:S277 3.1 1 Yes Yes 4 7 1 1
R:R:H278 R:R:I274 6.63 1 Yes Yes 6 4 1 1
L:L:?1 R:R:I274 8.85 1 Yes Yes 0 4 0 1
R:R:H278 R:R:S277 5.58 1 Yes Yes 6 7 1 1
L:L:?1 R:R:S277 5.58 1 Yes Yes 0 7 0 1
L:L:?1 R:R:H278 7.17 1 Yes Yes 0 6 0 1
R:R:A63 R:R:H278 2.93 0 No Yes 5 6 2 1
R:R:A81 R:R:F168 2.77 0 No Yes 5 4 2 1
L:L:?1 R:R:L167 2.57 1 Yes No 0 4 0 1
L:L:?1 R:R:V84 1.85 1 Yes No 0 6 0 1
R:R:G69 R:R:L167 1.71 0 No No 4 4 2 1
StatisticsValue
Average Number Of Links17.00
Average Number Of Links With An Hub7.00
Average Interaction Strength8.14
Average Nodes In Shell39.00
Average Hubs In Shell17.00
Average Links In Shell60.00
Average Links Mediated by Hubs In Shell53.00
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 Links17.00
Average Number Of Links With An Hub7.00
Average Interaction Strength8.14
Average Nodes In Shell39.00
Average Hubs In Shell17.00
Average Links In Shell60.00
Average Links Mediated by Hubs In Shell53.00

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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 🔍)