CodeKO8
Name1-[[4-[5-fluoranyl-6-[(oxan-4-ylamino)methyl]pyridin-2-yl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione
Synonyms
Identifier1-[[4-[5-fluoranyl-6-[(oxan-4-ylamino)methyl]pyridin-2-yl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione
FormulaC25 H31 F N4 O3
Molecular Weight454.537
SMILESCC(C)CN1C(=O)CN(C1=O)Cc2ccc(cc2)c3ccc(c(n3)CNC4CCOCC4)F
PubChem46219896
Formal Charge0
Total Atoms64
Total Chiral Atoms0
Total Bonds67
Total Aromatic Bonds12
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
8GUT A Lipid Cannabinoid CB2 Homo sapiens LEI-102 - Gi1/Beta1/Gamma2 2.98 2023-05-10 10.1038/s41467-023-37112-9

A 2D representation of the interactions of KO8 in 8GUT
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:P184 R:R:Y25 6.95 2 No No 5 4 1 2
R:R:F94 R:R:M26 7.46 2 Yes No 3 6 1 2
R:R:A83 R:R:F117 4.16 0 No Yes 8 6 2 1
R:R:F87 R:R:F91 8.57 2 Yes No 6 6 1 2
R:R:F87 R:R:V113 5.24 2 Yes No 6 5 1 2
R:R:F117 R:R:F87 7.5 2 Yes Yes 6 6 1 1
R:R:F87 R:R:S285 6.61 2 Yes No 6 5 1 1
L:L:?1 R:R:F87 9.91 2 Yes Yes 0 6 0 1
R:R:K109 R:R:S90 4.59 2 No No 5 4 1 1
L:L:?1 R:R:S90 4.36 2 Yes No 0 4 0 1
R:R:F91 R:R:H95 11.31 0 No No 6 4 2 2
R:R:F94 R:R:H95 11.31 2 Yes No 3 4 1 2
R:R:F106 R:R:F94 4.29 2 Yes Yes 9 3 1 1
L:L:?1 R:R:F94 20.52 2 Yes Yes 0 3 0 1
R:R:D101 R:R:F106 3.58 0 No Yes 2 9 2 1
R:R:D101 R:R:K109 5.53 0 No No 2 5 2 1
R:R:F106 R:R:K103 6.2 2 Yes No 9 3 1 2
R:R:F106 R:R:P184 7.22 2 Yes No 9 5 1 1
L:L:?1 R:R:F106 4.95 2 Yes Yes 0 9 0 1
L:L:?1 R:R:K109 5.74 2 Yes No 0 5 0 1
R:R:G111 R:R:I110 3.53 0 No Yes 6 4 2 1
R:R:I110 R:R:I186 5.89 0 Yes Yes 4 5 1 2
L:L:?1 R:R:I110 7.46 2 Yes Yes 0 4 0 1
R:R:T114 R:R:W194 4.85 2 No Yes 4 5 1 1
L:L:?1 R:R:T114 10.28 2 Yes No 0 4 0 1
R:R:F117 R:R:T116 3.89 2 Yes No 6 7 1 2
R:R:F117 R:R:W258 10.02 2 Yes Yes 6 8 1 1
L:L:?1 R:R:F117 9.91 2 Yes Yes 0 6 0 1
R:R:T118 R:R:W194 6.06 0 No Yes 6 5 2 1
R:R:P168 R:R:Y190 23.64 0 No Yes 5 7 2 1
R:R:W172 R:R:Y190 7.72 0 No Yes 5 7 2 1
R:R:F183 R:R:L182 8.53 2 Yes No 6 4 1 2
R:R:F281 R:R:L182 10.96 2 Yes No 4 4 1 2
R:R:F183 R:R:I186 6.28 2 Yes Yes 6 5 1 2
R:R:F183 R:R:F281 6.43 2 Yes Yes 6 4 1 1
L:L:?1 R:R:F183 20.52 2 Yes Yes 0 6 0 1
L:L:?1 R:R:P184 3.82 2 Yes No 0 5 0 1
R:R:I186 R:R:P187 3.39 0 Yes No 5 4 2 2
R:R:P187 R:R:Y190 4.17 0 No Yes 4 7 2 1
R:R:W194 R:R:Y190 8.68 2 Yes Yes 5 7 1 1
L:L:?1 R:R:Y190 3.41 2 Yes Yes 0 7 0 1
R:R:I198 R:R:W194 14.09 2 No Yes 7 5 2 1
R:R:M265 R:R:W194 4.65 2 No Yes 6 5 1 1
L:L:?1 R:R:W194 17.87 2 Yes Yes 0 5 0 1
R:R:L195 R:R:M265 5.65 0 No No 4 6 2 1
R:R:F202 R:R:I198 5.02 2 Yes No 7 7 2 2
R:R:F202 R:R:L254 3.65 2 Yes No 7 9 2 2
R:R:F202 R:R:W258 6.01 2 Yes Yes 7 8 2 1
R:R:L254 R:R:W258 4.56 2 No Yes 9 8 2 1
R:R:C288 R:R:W258 9.14 0 No Yes 7 8 2 1
R:R:N291 R:R:W258 6.78 0 Yes Yes 9 8 2 1
L:L:?1 R:R:W258 5.29 2 Yes Yes 0 8 0 1
L:L:?1 R:R:M265 4.11 2 Yes No 0 6 0 1
R:R:F281 R:R:S285 3.96 2 Yes No 4 5 1 1
L:L:?1 R:R:F281 10.62 2 Yes Yes 0 4 0 1
L:L:?1 R:R:S285 6.11 2 Yes No 0 5 0 1
R:R:V261 R:R:W258 2.45 0 No Yes 6 8 2 1
R:R:I110 R:R:L107 1.43 0 Yes No 4 5 1 2
StatisticsValue
Average Number Of Links16.00
Average Number Of Links With An Hub10.00
Average Interaction Strength9.06
Average Nodes In Shell41.00
Average Hubs In Shell14.00
Average Links In Shell58.00
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 Links16.00
Average Number Of Links With An Hub10.00
Average Interaction Strength9.06
Average Nodes In Shell41.00
Average Hubs In Shell14.00
Average Links In Shell58.00
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 🔍)