CodeYI9
Name6-(octylamino)pyrimidine-2,4(3H,5H)-dione
Synonyms
Identifier
FormulaC12 H21 N3 O2
Molecular Weight239.314
SMILES
PubChem168719775
Formal Charge0
Total Atoms38
Total Chiral Atoms0
Total Bonds38
Total Aromatic Bonds0
Networks2
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This ligand is also present in the following 2 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8G05 A Orphan Orphan GPR84 Homo Sapiens 6-OAU - Gi1/Beta1/Gamma2 3 2023-11-01 doi.org/10.1038/s41467-023-41201-0

A 2D representation of the interactions of YI9 in 8G05
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:V30 R:R:W26 6.13 2 Yes Yes 6 5 2 2
R:R:N357 R:R:W26 3.39 2 No Yes 8 5 2 2
R:R:W26 R:R:W360 8.43 2 Yes Yes 5 8 2 1
R:R:Q74 R:R:V30 7.16 2 Yes Yes 8 6 2 2
R:R:V30 R:R:W360 3.68 2 Yes Yes 6 8 2 1
R:R:Q74 R:R:Y69 3.38 2 Yes Yes 8 8 2 1
R:R:L100 R:R:Y69 8.21 2 Yes Yes 8 8 1 1
R:R:S103 R:R:Y69 6.36 0 No Yes 6 8 2 1
R:R:N104 R:R:Y69 10.47 2 No Yes 7 8 1 1
R:R:W360 R:R:Y69 6.75 2 Yes Yes 8 8 1 1
L:L:?1 R:R:Y69 5.24 2 Yes Yes 0 8 0 1
R:R:Q74 R:R:W360 18.62 2 Yes Yes 8 8 2 1
R:R:S77 R:R:T167 4.8 0 No Yes 7 4 2 1
R:R:T167 R:R:Y81 3.75 2 Yes Yes 4 5 1 2
R:R:N357 R:R:Y81 4.65 2 No Yes 8 5 2 2
R:R:W360 R:R:Y81 3.86 2 Yes Yes 8 5 1 2
R:R:F96 R:R:L100 6.09 2 Yes Yes 6 8 2 1
R:R:F101 R:R:L100 3.65 2 Yes Yes 7 8 1 1
L:L:?1 R:R:L100 14.45 2 Yes Yes 0 8 0 1
R:R:F101 R:R:F152 16.08 2 Yes Yes 7 8 1 1
R:R:F101 R:R:S169 5.28 2 Yes Yes 7 4 1 1
R:R:F101 R:R:F170 5.36 2 Yes Yes 7 6 1 2
L:L:?1 R:R:F101 10.9 2 Yes Yes 0 7 0 1
R:R:N104 R:R:Y332 8.14 2 No Yes 7 8 1 1
L:L:?1 R:R:N104 15.35 2 Yes No 0 7 0 1
R:R:S105 R:R:Y186 8.9 0 No Yes 7 8 2 1
R:R:I108 R:R:Y186 4.84 0 No Yes 8 8 2 1
R:R:I108 R:R:Y332 16.92 0 No Yes 8 8 2 1
R:R:L109 R:R:Y186 4.69 0 No Yes 6 8 2 1
R:R:F152 R:R:S151 3.96 2 Yes No 8 7 1 2
R:R:L182 R:R:S151 6.01 2 No No 8 7 2 2
R:R:F152 R:R:L182 4.87 2 Yes No 8 8 1 2
L:L:?1 R:R:F152 3.63 2 Yes Yes 0 8 0 1
R:R:T167 R:R:V165 6.35 2 Yes No 4 4 1 1
R:R:R172 R:R:V165 6.54 0 Yes No 5 4 2 1
L:L:?1 R:R:V165 6.66 2 Yes No 0 4 0 1
R:R:S169 R:R:T167 4.8 2 Yes Yes 4 4 1 1
L:L:?1 R:R:T167 10.99 2 Yes Yes 0 4 0 1
R:R:R172 R:R:S169 5.27 0 Yes Yes 5 4 2 1
L:L:?1 R:R:S169 6.72 2 Yes Yes 0 4 0 1
R:R:F170 R:R:R172 17.1 0 Yes Yes 6 5 2 2
R:R:N339 R:R:R172 9.64 0 No Yes 7 5 2 2
R:R:L182 R:R:Y186 3.52 2 No Yes 8 8 2 1
L:L:?1 R:R:Y186 6.99 2 Yes Yes 0 8 0 1
R:R:F187 R:R:L336 7.31 0 No No 8 7 2 1
R:R:F328 R:R:Y332 7.22 0 No Yes 9 8 2 1
R:R:S331 R:R:Y332 3.82 0 No Yes 8 8 2 1
R:R:T359 R:R:Y332 3.75 2 No Yes 8 8 1 1
R:R:N362 R:R:Y332 15.12 0 No Yes 9 8 2 1
L:L:?1 R:R:Y332 3.5 2 Yes Yes 0 8 0 1
R:R:F335 R:R:N339 10.87 2 No No 8 7 1 2
R:R:F335 R:R:T359 3.89 2 No No 8 8 1 1
L:L:?1 R:R:F335 12.71 2 Yes No 0 8 0 1
L:L:?1 R:R:L336 4.13 2 Yes No 0 7 0 1
L:L:?1 R:R:A356 3.52 2 Yes No 0 6 0 1
R:R:N357 R:R:W360 13.56 2 No Yes 8 8 2 1
L:L:?1 R:R:T359 10.99 2 Yes No 0 8 0 1
L:L:?1 R:R:W360 5.94 2 Yes Yes 0 8 0 1
R:R:G27 R:R:W360 2.81 0 No Yes 5 8 2 1
StatisticsValue
Average Number Of Links15.00
Average Number Of Links With An Hub9.00
Average Interaction Strength8.11
Average Nodes In Shell37.00
Average Hubs In Shell17.00
Average Links In Shell59.00
Average Links Mediated by Hubs In Shell55.00
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 Links14.00
Average Number Of Links With An Hub7.50
Average Interaction Strength8.46
Average Nodes In Shell33.50
Average Hubs In Shell14.00
Average Links In Shell49.00
Average Links Mediated by Hubs In Shell46.00

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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 🔍)