CodeQ8L
NamePiclidenoson
Synonyms(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-N-methyloxolane-2-carboxamide (non-preferred name)
Identifier(2~{S},3~{S},4~{R},5~{R})-5-[6-[(3-iodanylphenyl)methylamino]purin-9-yl]-~{N}-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide
FormulaC18 H19 I N6 O4
Molecular Weight510.286
SMILESCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3NCc4cccc(c4)I)O)O
PubChem123683
Formal Charge0
Total Atoms48
Total Chiral Atoms4
Total Bonds51
Total Aromatic Bonds16
Networks1
 missing image

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
8X16 A Nucleotide Adenosine A3A Homo Sapiens Piclidenoson - Gi1/Beta1/Gamma2 3.29 2024-04-24 10.1038/s41467-024-47207-6

A 2D representation of the interactions of Q8L in 8X16
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:E19 R:R:Y15 6.73 2 No Yes 6 5 2 2
R:R:I268 R:R:Y15 4.84 2 Yes Yes 4 5 1 2
R:R:E19 R:R:H272 17.23 2 No No 6 6 2 1
R:R:L91 R:R:T94 2.95 2 Yes Yes 4 6 1 1
R:R:H95 R:R:L91 3.86 2 Yes Yes 5 4 1 1
R:R:L91 R:R:M172 4.24 2 Yes Yes 4 4 1 2
R:R:L91 R:R:M177 4.24 2 Yes Yes 4 4 1 1
L:L:?1 R:R:L91 4.03 2 Yes Yes 0 4 0 1
R:R:H95 R:R:T94 5.48 2 Yes Yes 5 6 1 1
R:R:T94 R:R:W243 4.85 2 Yes Yes 6 7 1 1
L:L:?1 R:R:T94 10.3 2 Yes Yes 0 6 0 1
R:R:H95 R:R:V141 6.92 2 Yes No 5 4 1 2
R:R:H95 R:R:S181 4.18 2 Yes No 5 5 1 2
R:R:H95 R:R:W185 3.17 2 Yes Yes 5 4 1 2
L:L:?1 R:R:H95 3 2 Yes Yes 0 5 0 1
R:R:I98 R:R:W243 9.4 0 No Yes 7 7 2 1
R:R:V141 R:R:W185 11.03 2 No Yes 4 4 2 2
R:R:F168 R:R:M172 11.2 0 No Yes 3 4 1 2
L:L:?1 R:R:F168 39.01 2 Yes No 0 3 0 1
R:R:M174 R:R:V169 3.04 2 Yes No 2 1 1 1
L:L:?1 R:R:V169 6.07 2 Yes No 0 1 0 1
R:R:M172 R:R:M177 2.89 2 Yes Yes 4 4 2 1
R:R:M174 R:R:N250 5.61 2 Yes No 2 5 1 1
R:R:I253 R:R:M174 4.37 2 No Yes 3 2 1 1
L:L:?1 R:R:M174 4.12 2 Yes Yes 0 2 0 1
R:R:M177 R:R:S181 4.6 2 Yes No 4 5 1 2
R:R:M177 R:R:N250 4.21 2 Yes No 4 5 1 1
L:L:?1 R:R:M177 4.94 2 Yes Yes 0 4 0 1
R:R:F239 R:R:W243 14.03 0 No Yes 8 7 2 1
R:R:S242 R:R:W243 3.71 2 No Yes 8 7 2 1
R:R:N274 R:R:S242 8.94 2 No No 9 8 2 2
R:R:S271 R:R:W243 3.71 0 No Yes 6 7 2 1
R:R:N274 R:R:W243 5.65 2 No Yes 9 7 2 1
L:L:?1 R:R:W243 3.32 2 Yes Yes 0 7 0 1
R:R:I268 R:R:L246 5.71 2 Yes No 4 4 1 2
R:R:L246 R:R:S271 6.01 0 No No 4 6 2 2
L:L:?1 R:R:N250 3.2 2 Yes No 0 5 0 1
R:R:I253 R:R:V259 6.14 2 No Yes 3 3 1 2
L:L:?1 R:R:I253 6.65 2 Yes No 0 3 0 1
L:L:?1 R:R:L264 11.29 2 Yes No 0 3 0 1
R:R:H272 R:R:I268 6.63 2 No Yes 6 4 1 1
L:L:?1 R:R:I268 15.79 2 Yes Yes 0 4 0 1
L:L:?1 R:R:H272 5.24 2 Yes No 0 6 0 1
R:R:H95 R:R:S138 2.79 2 Yes No 5 8 1 2
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub7.00
Average Interaction Strength9.00
Average Nodes In Shell28.00
Average Hubs In Shell12.00
Average Links In Shell44.00
Average Links Mediated by Hubs In Shell41.00
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 Links13.00
Average Number Of Links With An Hub7.00
Average Interaction Strength9.00
Average Nodes In Shell28.00
Average Hubs In Shell12.00
Average Links In Shell44.00
Average Links Mediated by Hubs In Shell41.00

missing image


Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

missing image


Location of the nodes interacting with this ligand

(Click to enlarge 🔍)