CodeKO3
NameOnternabez
Synonyms
  • [(1S,2S,5S)-2-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methanol
  • Onternabez
Identifier[(1~{S},4~{S},5~{S})-4-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol
FormulaC27 H42 O3
Molecular Weight414.621
SMILESCCCCCCC(C)(C)c1cc(c(c(c1)OC)[C@H]2C=C([C@H]3C[C@@H]2C3(C)C)CO)OC
PubChem11553430
Formal Charge0
Total Atoms72
Total Chiral Atoms3
Total Bonds74
Total Aromatic Bonds6
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
8GUS A Lipid Cannabinoid CB2 Homo sapiens HU-308 - Gi1/Beta1/Gamma2 2.97 2023-05-10 10.1038/s41467-023-37112-9

A 2D representation of the interactions of KO3 in 8GUS
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:M22 R:R:Y25 4.79 2 Yes No 7 4 2 2
R:R:F94 R:R:M22 4.98 2 Yes Yes 3 7 1 2
R:R:M22 R:R:P184 3.35 2 Yes Yes 7 5 2 1
R:R:L185 R:R:M22 4.24 0 No Yes 4 7 2 2
R:R:P184 R:R:Y25 23.64 2 Yes No 5 4 1 2
R:R:F94 R:R:M26 4.98 2 Yes No 3 6 1 2
R:R:H95 R:R:L28 5.14 2 Yes Yes 4 6 1 2
R:R:F87 R:R:F91 5.36 2 Yes No 6 6 1 1
R:R:F87 R:R:V113 5.24 2 Yes No 6 5 1 1
R:R:F117 R:R:F87 7.5 0 No Yes 6 6 2 1
R:R:F87 R:R:S285 5.28 2 Yes No 6 5 1 1
R:R:F87 R:R:L289 7.31 2 Yes No 6 6 1 2
L:L:?1 R:R:F87 10.98 2 Yes Yes 0 6 0 1
R:R:F91 R:R:H95 10.18 2 No Yes 6 4 1 1
L:L:?1 R:R:F91 5.86 2 Yes No 0 6 0 1
R:R:F94 R:R:H95 7.92 2 Yes Yes 3 4 1 1
R:R:D101 R:R:F94 4.78 0 No Yes 2 3 2 1
L:L:?1 R:R:F94 10.98 2 Yes Yes 0 3 0 1
L:L:?1 R:R:H95 3.86 2 Yes Yes 0 4 0 1
R:R:D101 R:R:F106 8.36 0 No Yes 2 9 2 1
R:R:F106 R:R:I110 10.05 2 Yes No 9 4 1 1
R:R:F106 R:R:P184 4.33 2 Yes Yes 9 5 1 1
R:R:F106 R:R:L185 7.31 2 Yes No 9 4 1 2
L:L:?1 R:R:F106 4.39 2 Yes Yes 0 9 0 1
L:L:?1 R:R:I110 6 2 Yes No 0 4 0 1
R:R:G111 R:R:T114 3.64 0 No Yes 6 4 2 1
L:L:?1 R:R:V113 6.27 2 Yes No 0 5 0 1
R:R:S165 R:R:T114 4.8 2 No Yes 7 4 2 1
R:R:T114 R:R:Y190 3.75 2 Yes Yes 4 7 1 1
L:L:?1 R:R:T114 4.43 2 Yes Yes 0 4 0 1
R:R:T118 R:R:W194 6.06 2 No Yes 6 5 2 1
R:R:I198 R:R:T118 6.08 2 No No 7 6 2 2
R:R:P168 R:R:W172 4.05 2 Yes Yes 5 5 2 2
R:R:I186 R:R:P168 3.39 2 Yes Yes 5 5 2 2
R:R:P168 R:R:Y190 15.3 2 Yes Yes 5 7 2 1
R:R:W172 R:R:Y190 13.5 2 Yes Yes 5 7 2 1
R:R:F281 R:R:L182 9.74 2 Yes No 4 4 1 2
R:R:F183 R:R:I186 3.77 2 Yes Yes 6 5 1 2
R:R:F183 R:R:M265 4.98 2 Yes Yes 6 6 1 2
R:R:F183 R:R:F281 5.36 2 Yes Yes 6 4 1 1
L:L:?1 R:R:F183 27.82 2 Yes Yes 0 6 0 1
L:L:?1 R:R:P184 3.95 2 Yes Yes 0 5 0 1
R:R:I186 R:R:Y190 9.67 2 Yes Yes 5 7 2 1
L:L:?1 R:R:Y190 3.52 2 Yes Yes 0 7 0 1
R:R:I198 R:R:W194 16.44 2 No Yes 7 5 2 1
R:R:M265 R:R:W194 4.65 0 Yes Yes 6 5 2 1
L:L:?1 R:R:W194 19.85 2 Yes Yes 0 5 0 1
R:R:F281 R:R:V261 3.93 2 Yes No 4 6 1 2
R:R:F281 R:R:L264 4.87 2 Yes No 4 4 1 2
L:L:?1 R:R:F281 11.71 2 Yes Yes 0 4 0 1
R:R:C288 R:R:S285 3.44 0 No No 7 5 2 1
L:L:?1 R:R:S285 9.93 2 Yes No 0 5 0 1
R:R:S112 R:R:V113 1.62 0 No No 4 5 2 1
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub10.00
Average Interaction Strength9.25
Average Nodes In Shell36.00
Average Hubs In Shell17.00
Average Links In Shell53.00
Average Links Mediated by Hubs In Shell50.00
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 Hub10.00
Average Interaction Strength9.25
Average Nodes In Shell36.00
Average Hubs In Shell17.00
Average Links In Shell53.00
Average Links Mediated by Hubs In Shell50.00

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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 🔍)