Code7V7
NameFentanyl
SynonymsFentanila
Identifier~{N}-phenyl-~{N}-[1-(2-phenylethyl)piperidin-4-yl]propanamide
FormulaC22 H28 N2 O
Molecular Weight336.471
SMILESCCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3
PubChem3345
Formal Charge0
Total Atoms53
Total Chiral Atoms0
Total Bonds55
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
8EF5 A Peptide Opioid MOP Homo sapiens Fentanyl - Gi1/Beta1/Gamma2 3.3  2022-11-09 10.1016/j.cell.2022.09.041

A 2D representation of the interactions of 7V7 in 8EF5
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:T122 R:R:V145 4.76 0 Yes Yes 6 5 2 2
R:R:D149 R:R:T122 4.34 3 Yes Yes 5 6 1 2
R:R:L123 R:R:Y328 4.69 0 Yes Yes 7 7 2 1
R:R:D149 R:R:Q126 7.83 3 Yes No 5 6 1 1
R:R:Q126 R:R:Y328 6.76 3 No Yes 6 7 1 1
L:L:?1 R:R:Q126 10.72 3 Yes No 0 6 0 1
R:R:N129 R:R:W135 9.04 3 No Yes 4 8 1 1
L:L:?1 R:R:N129 2.55 3 Yes No 0 4 0 1
R:R:P136 R:R:W135 2.7 3 No Yes 3 8 2 1
R:R:F137 R:R:W135 23.05 3 Yes Yes 6 8 2 1
R:R:C142 R:R:W135 5.22 3 No Yes 9 8 2 1
R:R:V145 R:R:W135 6.13 0 Yes Yes 5 8 2 1
R:R:C219 R:R:W135 18.28 3 No Yes 9 8 2 1
L:L:?1 R:R:W135 2.82 3 Yes Yes 0 8 0 1
R:R:F137 R:R:P136 4.33 3 Yes No 6 3 2 2
R:R:C142 R:R:C219 7.28 3 No No 9 9 2 2
R:R:A208 R:R:I146 3.25 0 No Yes 5 4 2 1
R:R:C219 R:R:I146 3.27 3 No Yes 9 4 2 1
R:R:I146 R:R:L221 2.85 0 Yes No 4 4 1 2
L:L:?1 R:R:I146 2.65 3 Yes Yes 0 4 0 1
R:R:D149 R:R:Y328 8.05 3 Yes Yes 5 7 1 1
L:L:?1 R:R:D149 10.93 3 Yes Yes 0 5 0 1
R:R:V204 R:R:Y150 3.79 0 No No 5 4 2 1
R:R:L221 R:R:Y150 3.52 0 No No 4 4 2 1
L:L:?1 R:R:Y150 5.81 3 Yes No 0 4 0 1
R:R:F154 R:R:M153 3.73 3 Yes No 6 7 2 1
R:R:M153 R:R:W295 4.65 3 No Yes 7 8 1 1
L:L:?1 R:R:M153 8.75 3 Yes No 0 7 0 1
R:R:F154 R:R:V238 2.62 3 Yes No 6 5 2 1
R:R:F291 R:R:I157 7.54 3 Yes No 9 7 2 2
R:R:I157 R:R:W295 7.05 3 No Yes 7 8 2 1
L:L:?1 R:R:V238 2.77 3 Yes No 0 5 0 1
R:R:F291 R:R:W295 7.02 3 Yes Yes 9 8 2 1
R:R:F291 R:R:N330 4.83 3 Yes Yes 9 9 2 2
R:R:H299 R:R:W295 8.46 0 Yes Yes 7 8 2 1
R:R:N330 R:R:W295 7.91 3 Yes Yes 9 8 2 1
L:L:?1 R:R:W295 4.94 3 Yes Yes 0 8 0 1
R:R:H299 R:R:I298 2.65 0 Yes No 7 6 2 1
R:R:C323 R:R:I298 3.27 0 No No 6 6 2 1
L:L:?1 R:R:I298 2.65 3 Yes No 0 6 0 1
R:R:I324 R:R:W320 7.05 0 No Yes 5 4 1 2
L:L:?1 R:R:I324 5.3 3 Yes No 0 5 0 1
L:L:?1 R:R:Y328 12.34 3 Yes Yes 0 7 0 1
L:L:?1 R:R:G327 2.12 3 Yes No 0 7 0 1
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub5.00
Average Interaction Strength5.72
Average Nodes In Shell31.00
Average Hubs In Shell15.00
Average Links In Shell44.00
Average Links Mediated by Hubs In Shell40.00
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 Links13.00
Average Number Of Links With An Hub5.00
Average Interaction Strength5.72
Average Nodes In Shell31.00
Average Hubs In Shell15.00
Average Links In Shell44.00
Average Links Mediated by Hubs In Shell40.00

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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 🔍)