Code7V7
NameFentanyl
SynonymsFentanyl CII
Identifier
FormulaC22 H28 N2 O
Molecular Weight336.471
SMILES
PubChem3345
Formal Charge0
Total Atoms53
Total Chiral Atoms0
Total Bonds55
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
8EF5 A Peptide Opioid MOP Homo Sapiens Fentanyl - Gi1/Beta1/Gamma2 3.3 2022-11-09 doi.org/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 11.19 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 2.66 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 2.95 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 2.77 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 11.41 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 6.07 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 9.14 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 2.89 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 5.16 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 2.77 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 5.54 3 Yes No 0 5 0 1
L:L:?1 R:R:Y328 12.89 3 Yes Yes 0 7 0 1
L:L:?1 R:R:G327 2.21 3 Yes No 0 7 0 1
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub5.00
Average Interaction Strength5.97
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 Links11.50
Average Number Of Links With An Hub4.00
Average Interaction Strength6.45
Average Nodes In Shell26.50
Average Hubs In Shell12.50
Average Links In Shell35.50
Average Links Mediated by Hubs In Shell32.00

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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 🔍)