CodeVF1
Name(2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol
SynonymsBU72
Identifiern/a
FormulaC28 H32 N2 O2
Molecular Weight428.566
SMILESC[C@@]12C[C@@]34C=C[C@@]1([C@H]([C@@]35CCN([C@@H]4Cc6c5cc(cc6)O)C)N[C@@H]2c7ccccc7)OC
PubChem
Formal Charge0
Total Atoms64
Total Chiral Atoms7
Total Bonds70
Total Aromatic Bonds12
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
5C1M A Peptide Opioid MOP Mus musculus BU72 - - 2.07 2015-08-05 10.1038/nature14886

A 2D representation of the interactions of VF1 in 5C1M
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:H54 R:R:T218 4.11 0 No No 2 3 1 2
L:L:?7 R:R:H54 21.47 1 Yes No 0 2 0 1
R:R:?57 R:R:K303 9.61 1 Yes No 5 4 2 2
R:R:?57 R:R:W318 21.34 1 Yes Yes 5 5 2 1
R:R:L121 R:R:Y75 3.52 0 No Yes 7 7 2 2
R:R:Q124 R:R:Y75 4.51 1 Yes Yes 6 7 1 2
R:R:H319 R:R:Y75 11.98 1 Yes Yes 4 7 2 2
R:R:I322 R:R:Y75 6.04 1 No Yes 5 7 1 2
R:R:Q124 R:R:T120 4.25 1 Yes No 6 6 1 2
R:R:D147 R:R:T120 8.67 1 Yes No 6 6 1 2
R:R:T120 R:R:Y326 3.75 1 No Yes 6 7 2 1
R:R:L121 R:R:Y326 14.07 0 No Yes 7 7 2 1
R:R:D147 R:R:Q124 3.92 1 Yes Yes 6 6 1 1
R:R:Q124 R:R:Y326 9.02 1 Yes Yes 6 7 1 1
L:L:?7 R:R:Q124 14.5 1 Yes Yes 0 6 0 1
R:R:D147 R:R:Y326 9.2 1 Yes Yes 6 7 1 1
L:L:?7 R:R:D147 19.71 1 Yes Yes 0 6 0 1
R:R:I198 R:R:Y148 4.84 0 No No 4 4 2 1
R:R:V202 R:R:Y148 8.83 0 No No 5 4 2 1
L:L:?7 R:R:Y148 9.36 1 Yes No 0 4 0 1
R:R:M151 R:R:W293 9.31 1 No Yes 7 8 1 2
R:R:H297 R:R:M151 3.94 1 Yes No 8 7 1 1
L:L:?7 R:R:M151 11.29 1 Yes No 0 7 0 1
L:L:?7 R:R:V236 5.41 1 Yes No 0 5 0 1
R:R:F237 R:R:F241 7.5 1 Yes Yes 5 8 2 2
R:R:F237 R:R:H297 5.66 1 Yes Yes 5 8 2 1
R:R:F241 R:R:H297 9.05 1 Yes Yes 8 8 2 1
R:R:H297 R:R:W293 6.35 1 Yes Yes 8 8 1 2
R:R:I296 R:R:W318 3.52 1 No Yes 6 5 1 1
L:L:?7 R:R:I296 6.22 1 Yes No 0 6 0 1
L:L:?7 R:R:H297 4.67 1 Yes Yes 0 8 0 1
R:R:K303 R:R:Y299 4.78 1 No Yes 4 4 2 2
R:R:W318 R:R:Y299 13.5 1 Yes Yes 5 4 1 2
L:L:?7 R:R:V300 6.49 1 Yes No 0 5 0 1
R:R:K303 R:R:W318 9.28 1 No Yes 4 5 2 1
R:R:H319 R:R:W318 6.35 1 Yes Yes 4 5 2 1
R:R:I322 R:R:W318 10.57 1 No Yes 5 5 1 1
L:L:?7 R:R:W318 4.14 1 Yes Yes 0 5 0 1
L:L:?7 R:R:I322 4.15 1 Yes No 0 5 0 1
L:L:?7 R:R:Y326 9.36 1 Yes Yes 0 7 0 1
R:R:K233 R:R:V300 3.04 0 No No 4 5 2 1
R:R:A117 R:R:Y326 2.67 0 No Yes 7 7 2 1
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub5.00
Average Interaction Strength9.73
Average Nodes In Shell28.00
Average Hubs In Shell13.00
Average Links In Shell42.00
Average Links Mediated by Hubs In Shell38.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8E0G A Peptide Opioid MOP Mus Musculus BU72 - - 2.1 2023-10-18  10.1186/s12915-023-01689-w

A 2D representation of the interactions of VF1 in 8E0G
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:?54 R:R:S53 4.64 1 Yes No 2 4 1 2
R:R:?54 R:R:S55 3.48 1 Yes Yes 2 4 1 2
R:R:?54 R:R:?57 3.64 1 Yes Yes 2 5 1 2
R:R:?54 R:R:I144 3.31 1 Yes Yes 2 5 1 1
R:R:?54 R:R:Y148 5.44 1 Yes Yes 2 4 1 1
R:R:?54 R:R:D216 7.34 1 Yes Yes 2 4 1 2
R:R:?54 R:R:T218 5.69 1 Yes No 2 3 1 2
L:L:?1 R:R:?54 32.65 1 Yes Yes 0 2 0 1
R:R:D216 R:R:S55 4.42 1 Yes Yes 4 4 2 2
R:R:C217 R:R:S55 3.44 1 Yes Yes 9 4 2 2
R:R:?57 R:R:K303 6.01 1 Yes Yes 5 4 2 2
R:R:?57 R:R:W318 15.52 1 Yes Yes 5 5 2 1
R:R:L121 R:R:Y75 4.69 0 Yes Yes 7 7 2 2
R:R:Q124 R:R:Y75 4.51 1 Yes Yes 6 7 1 2
R:R:H319 R:R:Y75 10.89 1 Yes Yes 4 7 2 2
R:R:I322 R:R:Y75 7.25 1 No Yes 5 7 1 2
R:R:Q124 R:R:T120 4.25 1 Yes Yes 6 6 1 2
R:R:D147 R:R:T120 8.67 1 Yes Yes 6 6 1 2
R:R:T120 R:R:Y326 3.75 1 Yes Yes 6 7 2 1
R:R:L121 R:R:Y326 14.07 0 Yes Yes 7 7 2 1
R:R:D147 R:R:Q124 3.92 1 Yes Yes 6 6 1 1
R:R:Q124 R:R:Y326 7.89 1 Yes Yes 6 7 1 1
L:L:?1 R:R:Q124 13.25 1 Yes Yes 0 6 0 1
R:R:A206 R:R:I144 4.87 0 No Yes 4 5 2 1
R:R:C217 R:R:I144 3.27 1 Yes Yes 9 5 2 1
L:L:?1 R:R:I144 5.68 1 Yes Yes 0 5 0 1
R:R:D147 R:R:Y326 8.05 1 Yes Yes 6 7 1 1
L:L:?1 R:R:D147 19.82 1 Yes Yes 0 6 0 1
R:R:I198 R:R:Y148 4.84 0 No Yes 4 4 2 1
R:R:V202 R:R:Y148 8.83 0 No Yes 5 4 2 1
L:L:?1 R:R:Y148 9.34 1 Yes Yes 0 4 0 1
R:R:F152 R:R:M151 3.73 1 Yes Yes 7 7 2 1
R:R:A240 R:R:M151 3.22 1 No Yes 6 7 2 1
R:R:M151 R:R:W293 4.65 1 Yes Yes 7 8 1 2
L:L:?1 R:R:M151 7.51 1 Yes Yes 0 7 0 1
R:R:F152 R:R:I198 6.28 1 Yes No 7 4 2 2
R:R:A240 R:R:F152 4.16 1 No Yes 6 7 2 2
R:R:D216 R:R:T218 13.01 1 Yes No 4 3 2 2
L:L:?1 R:R:V236 4.94 1 Yes No 0 5 0 1
R:R:F237 R:R:F241 7.5 1 Yes Yes 5 8 2 2
R:R:F237 R:R:H297 5.66 1 Yes Yes 5 8 2 1
R:R:F241 R:R:H297 11.31 1 Yes Yes 8 8 2 1
R:R:H297 R:R:W293 6.35 1 Yes Yes 8 8 1 2
R:R:I296 R:R:W318 4.7 1 No Yes 6 5 1 1
R:R:C321 R:R:I296 3.27 0 No No 6 6 2 1
L:L:?1 R:R:I296 6.63 1 Yes No 0 6 0 1
L:L:?1 R:R:H297 4.27 1 Yes Yes 0 8 0 1
R:R:K303 R:R:Y299 4.78 1 Yes Yes 4 4 2 2
R:R:W318 R:R:Y299 14.47 1 Yes Yes 5 4 1 2
R:R:C321 R:R:Y299 4.03 0 No Yes 6 4 2 2
L:L:?1 R:R:V300 6.92 1 Yes No 0 5 0 1
R:R:K303 R:R:W318 13.92 1 Yes Yes 4 5 2 1
R:R:H319 R:R:W318 5.29 1 Yes Yes 4 5 2 1
R:R:I322 R:R:W318 9.4 1 No Yes 5 5 1 1
L:L:?1 R:R:W318 3.78 1 Yes Yes 0 5 0 1
L:L:?1 R:R:I322 3.79 1 Yes No 0 5 0 1
L:L:?1 R:R:Y326 9.34 1 Yes Yes 0 7 0 1
R:R:A117 R:R:Y326 2.67 0 No Yes 7 7 2 1
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub9.00
Average Interaction Strength9.84
Average Nodes In Shell36.00
Average Hubs In Shell24.00
Average Links In Shell58.00
Average Links Mediated by Hubs In Shell57.00
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 Links12.50
Average Number Of Links With An Hub7.00
Average Interaction Strength9.79
Average Nodes In Shell32.00
Average Hubs In Shell18.50
Average Links In Shell50.00
Average Links Mediated by Hubs In Shell47.50

missing image


Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

missing image


Location of the nodes interacting with this ligand

(Click to enlarge 🔍)