Code8D3
Name(6aR,10aR)-3-(8-bromanyl-2-methyl-octan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
Synonyms
Identifier(6~{a}~{R},10~{a}~{R})-3-(8-bromanyl-2-methyl-octan-2-yl)-6,6,9-trimethyl-6~{a},7,10,10~{a}-tetrahydrobenzo[c]chromen-1-ol
FormulaC25 H37 Br O2
Molecular Weight449.464
SMILESCC1=CC[C@@H]2[C@@H](C1)c3c(cc(cc3OC2(C)C)C(C)(C)CCCCCCBr)O
PubChem53318931
Formal Charge0
Total Atoms65
Total Chiral Atoms2
Total Bonds67
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
5XRA A Lipid Cannabinoid CB1 Homo sapiens AM11542 - - 2.8 2017-07-12 10.1038/nature23272

A 2D representation of the interactions of 8D3 in 5XRA
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:F108 R:R:P269 23.12 0 No Yes 5 3 2 1
R:R:F177 R:R:M109 8.71 0 No Yes 4 3 1 2
R:R:I169 R:R:V196 3.07 0 No No 5 7 2 1
R:R:F170 R:R:F174 19.29 1 Yes Yes 7 5 1 1
R:R:F170 R:R:V196 3.93 1 Yes No 7 7 1 1
R:R:F170 R:R:L387 6.09 1 Yes No 7 7 1 2
L:L:?1 R:R:F170 11.42 1 Yes Yes 0 7 0 1
R:R:F174 R:R:H178 10.18 1 Yes Yes 5 4 1 2
R:R:F174 R:R:S383 3.96 1 Yes Yes 5 6 1 1
L:L:?1 R:R:F174 8.97 1 Yes Yes 0 5 0 1
R:R:F177 R:R:H178 9.05 0 No Yes 4 4 1 2
L:L:?1 R:R:F177 11.42 1 Yes No 0 4 0 1
R:R:F189 R:R:P269 13 1 No Yes 9 3 1 1
L:L:?1 R:R:F189 6.53 1 Yes No 0 9 0 1
R:R:L193 R:R:T197 2.95 1 No Yes 4 6 1 1
R:R:F268 R:R:L193 3.65 1 Yes No 5 4 1 1
L:L:?1 R:R:L193 7.42 1 Yes No 0 4 0 1
R:R:G194 R:R:T197 3.64 0 No Yes 6 6 2 1
L:L:?1 R:R:V196 6.99 1 Yes No 0 7 0 1
R:R:A248 R:R:T197 3.36 0 No Yes 7 6 2 1
R:R:T197 R:R:W279 3.64 1 Yes Yes 6 6 1 1
L:L:?1 R:R:T197 5.92 1 Yes Yes 0 6 0 1
R:R:C386 R:R:F200 4.19 0 No No 7 7 1 2
R:R:T201 R:R:W279 6.06 0 No Yes 6 6 2 1
R:R:F268 R:R:S265 5.28 1 Yes No 5 4 1 2
R:R:F268 R:R:I267 7.54 1 Yes Yes 5 4 1 2
R:R:F379 R:R:I267 11.3 1 Yes Yes 4 4 1 2
R:R:F268 R:R:M363 3.73 1 Yes Yes 5 6 1 1
R:R:F268 R:R:F379 6.43 1 Yes Yes 5 4 1 1
L:L:?1 R:R:F268 14.69 1 Yes Yes 0 5 0 1
R:R:H270 R:R:P269 6.1 1 No Yes 3 3 2 1
L:L:?1 R:R:P269 3.3 1 Yes Yes 0 3 0 1
R:R:L276 R:R:M363 5.65 0 No Yes 5 6 2 1
R:R:V283 R:R:W279 8.58 0 No Yes 8 6 2 1
L:L:?1 R:R:W279 19.07 1 Yes Yes 0 6 0 1
R:R:C386 R:R:W356 5.22 0 No No 7 8 1 2
R:R:F379 R:R:L359 4.87 1 Yes No 4 7 1 2
R:R:L359 R:R:S383 3 1 No Yes 7 6 2 1
R:R:F379 R:R:I362 7.54 1 Yes No 4 4 1 2
R:R:F379 R:R:M363 6.22 1 Yes Yes 4 6 1 1
L:L:?1 R:R:M363 3.79 1 Yes Yes 0 6 0 1
R:R:F379 R:R:S383 6.61 1 Yes Yes 4 6 1 1
L:L:?1 R:R:F379 5.71 1 Yes Yes 0 4 0 1
L:L:?1 R:R:S383 8.05 1 Yes Yes 0 6 0 1
L:L:?1 R:R:C386 3.19 1 Yes No 0 7 0 1
R:R:L360 R:R:W279 2.28 0 No Yes 7 6 2 1
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub9.00
Average Interaction Strength8.32
Average Nodes In Shell33.00
Average Hubs In Shell13.00
Average Links In Shell46.00
Average Links Mediated by Hubs In Shell43.00
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 Hub9.00
Average Interaction Strength8.32
Average Nodes In Shell33.00
Average Hubs In Shell13.00
Average Links In Shell46.00
Average Links Mediated by Hubs In Shell43.00

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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 🔍)