CodeDU1
Name4-{[3-(8-cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-3H-purin-3-yl)propyl]carbamoyl}benzene-1-sulfonyl fluoride
Synonyms
Identifier4-[3-[8-cyclohexyl-2,6-bis(oxidanylidene)-1-propyl-7~{H}-purin-3-yl]propylcarbamoyl]benzenesulfonyl fluoride
FormulaC24 H30 F N5 O5 S
Molecular Weight519.589
SMILESCCCN1C(=O)c2c(nc([nH]2)C3CCCCC3)N(C1=O)CCCNC(=O)c4ccc(cc4)S(=O)(=O)F
PubChem10839674
Formal Charge0
Total Atoms66
Total Chiral Atoms0
Total Bonds69
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
5UEN A Nucleotide Adenosine A1 Homo sapiens DU172 - - 3.2 2017-03-01 10.1016/j.cell.2017.01.042

A 2D representation of the interactions of DU1 in 5UEN
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:E16 R:R:Y12 15.71 7 Yes No 6 5 2 1
R:R:N70 R:R:Y12 9.3 0 No No 3 5 2 1
L:L:?1 R:R:Y12 9.63 1 Yes No 0 5 0 1
R:R:E16 R:R:H278 11.08 7 Yes Yes 6 7 2 2
R:R:V62 R:R:V87 4.81 0 No No 6 6 2 1
L:L:?1 R:R:V87 6.12 1 Yes No 0 6 0 1
R:R:L88 R:R:Y179 4.69 1 No Yes 4 6 2 2
R:R:L88 R:R:M180 5.65 1 No Yes 4 5 2 1
R:R:F171 R:R:I175 18.84 1 No Yes 4 3 1 2
R:R:F171 R:R:M180 4.98 1 No Yes 4 5 1 1
L:L:?1 R:R:F171 43.58 1 Yes No 0 4 0 1
L:L:?1 R:R:E172 7.77 1 Yes No 0 4 0 1
R:R:M177 R:R:N254 7.01 0 No No 3 5 2 1
R:R:M180 R:R:Y179 7.18 1 Yes Yes 5 6 1 2
R:R:M180 R:R:N184 7.01 1 Yes No 5 5 1 2
R:R:M180 R:R:N254 4.21 1 Yes No 5 5 1 1
L:L:?1 R:R:M180 3.32 1 Yes Yes 0 5 0 1
R:R:A273 R:R:L250 3.15 0 No No 5 6 2 1
L:L:?1 R:R:L250 16.24 1 Yes No 0 6 0 1
L:L:?1 R:R:L253 4.06 1 Yes No 0 4 0 1
L:L:?1 R:R:N254 13.69 1 Yes No 0 5 0 1
L:L:?1 R:R:T270 3.46 1 Yes No 0 4 0 1
R:R:F275 R:R:Y271 4.13 0 No No 5 3 2 1
L:L:?1 R:R:Y271 17.88 1 Yes No 0 3 0 1
R:R:H278 R:R:I274 3.98 7 Yes No 7 5 2 1
L:L:?1 R:R:I274 10.88 1 Yes No 0 5 0 1
R:R:K265 R:R:L253 2.82 0 No No 3 4 2 1
R:R:S267 R:R:Y271 2.54 0 No No 3 3 2 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub1.00
Average Interaction Strength12.42
Average Nodes In Shell25.00
Average Hubs In Shell6.00
Average Links In Shell28.00
Average Links Mediated by Hubs In Shell21.00
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 Links11.00
Average Number Of Links With An Hub1.00
Average Interaction Strength12.42
Average Nodes In Shell25.00
Average Hubs In Shell6.00
Average Links In Shell28.00
Average Links Mediated by Hubs In Shell21.00

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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 🔍)