Code2ID
Name[(1R,2S,4S,5S)-4-[2-iodo-6-(methylamino)-9H-purin-9-yl]-2-(phosphonooxy)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate
Synonyms
Identifier[(1R,2S,4S,5S)-4-[2-iodanyl-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate
FormulaC13 H18 I N5 O8 P2
Molecular Weight561.163
SMILESCNc1c2c(nc(n1)I)n(cn2)[C@H]3C[C@@H]([C@]4([C@@H]3C4)COP(=O)(O)O)OP(=O)(O)O
PubChem44448831
Formal Charge0
Total Atoms47
Total Chiral Atoms4
Total Bonds50
Total Aromatic Bonds10
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
4XNW A Nucleotide P2Y P2Y1 Homo sapiens MRS2500 - - 2.7 2015-04-01 10.1038/nature14287

A 2D representation of the interactions of 2ID in 4XNW
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:C42 R:R:Q291 6.1 0 No No 8 2 2 1
R:R:L44 R:R:Y303 18.76 1 No Yes 2 4 1 1
L:L:?1 R:R:L44 19.89 1 Yes No 0 2 0 1
R:R:F51 R:R:K46 7.44 1 No No 3 4 2 1
R:R:K46 R:R:T115 9.01 1 No Yes 4 4 1 2
L:L:?1 R:R:K46 5.29 1 Yes No 0 4 0 1
R:R:Q50 R:R:Y303 10.15 1 No Yes 4 4 2 1
R:R:Q307 R:R:Q50 17.92 1 No No 5 4 2 2
R:R:F51 R:R:T115 5.19 1 No Yes 3 4 2 2
R:R:R195 R:R:T115 5.17 1 Yes Yes 1 4 1 2
R:R:N197 R:R:R195 4.82 1 No Yes 4 1 2 1
R:R:R195 R:R:T199 9.06 1 Yes No 1 4 1 2
R:R:R195 R:R:T201 10.35 1 Yes No 1 3 1 2
L:L:?1 R:R:R195 8.35 1 Yes Yes 0 1 0 1
R:R:N197 R:R:T199 13.16 1 No No 4 4 2 2
R:R:T205 R:R:Y214 9.99 1 No Yes 5 4 1 2
R:R:R287 R:R:T205 6.47 1 No No 5 5 1 1
L:L:?1 R:R:T205 6.45 1 Yes No 0 5 0 1
R:R:L211 R:R:R287 14.58 0 No No 4 5 2 1
R:R:N283 R:R:V302 4.43 1 No No 4 4 1 2
R:R:N283 R:R:Y306 17.44 1 No No 4 4 1 1
L:L:?1 R:R:N283 13.73 1 Yes No 0 4 0 1
L:L:?1 R:R:R287 24.29 1 Yes No 0 5 0 1
R:R:Q307 R:R:Y303 11.27 1 No Yes 5 4 2 1
L:L:?1 R:R:Y303 11.72 1 Yes Yes 0 4 0 1
R:R:R310 R:R:Y306 12.35 0 No No 5 4 2 1
L:L:?1 R:R:Y306 4.4 1 Yes No 0 4 0 1
R:R:Q307 R:R:R310 9.35 1 No No 5 5 2 2
L:L:?1 R:R:Q291 3.33 1 Yes No 0 2 0 1
R:R:D300 R:R:L44 1.36 0 No No 2 2 2 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub2.00
Average Interaction Strength10.83
Average Nodes In Shell23.00
Average Hubs In Shell5.00
Average Links In Shell30.00
Average Links Mediated by Hubs In Shell19.00
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 Links9.00
Average Number Of Links With An Hub2.00
Average Interaction Strength10.83
Average Nodes In Shell23.00
Average Hubs In Shell5.00
Average Links In Shell30.00
Average Links Mediated by Hubs In Shell19.00

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 🔍)