CodeEID
NameLofentanil
Synonymsmethyl (3R,4S)-3-methyl-1-(2-phenylethyl)-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate
Identifiermethyl (3~{R},4~{S})-3-methyl-1-(2-phenylethyl)-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate
FormulaC25 H32 N2 O3
Molecular Weight408.533
SMILESCCC(=O)N(c1ccccc1)[C@]2(CCN(C[C@H]2C)CCc3ccccc3)C(=O)OC
PubChem10070040
Formal Charge0
Total Atoms62
Total Chiral Atoms2
Total Bonds64
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
7T2H A Peptide Opioid MOP Mus musculus Lofentanil - Gi1/Beta1/Gamma2 2.5 2022-12-07  10.1038/s41589-022-01208-y

A 2D representation of the interactions of EID in 7T2H
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:L121 R:R:Y75 7.03 2 Yes Yes 7 7 2 2
R:R:H319 R:R:Y75 10.89 2 Yes Yes 4 7 2 2
R:R:I322 R:R:Y75 8.46 2 Yes Yes 5 7 1 2
R:R:Q124 R:R:T120 4.25 2 No Yes 6 6 1 2
R:R:D147 R:R:T120 4.34 2 No Yes 6 6 1 2
R:R:T120 R:R:Y326 2.5 2 Yes Yes 6 7 2 1
R:R:L121 R:R:Y326 14.07 2 Yes Yes 7 7 2 1
R:R:F123 R:R:W133 4.01 2 No Yes 6 8 2 1
R:R:F123 R:R:F135 15 2 No Yes 6 7 2 2
R:R:F123 R:R:V143 9.18 2 No No 6 5 2 2
R:R:Q124 R:R:Y326 7.89 2 No Yes 6 7 1 1
L:L:?1 R:R:Q124 6.3 2 Yes No 0 6 0 1
R:R:N127 R:R:W133 3.39 0 No Yes 6 8 2 1
R:R:F135 R:R:W133 12.03 2 Yes Yes 7 8 2 1
R:R:C140 R:R:W133 6.53 2 No Yes 9 8 2 1
R:R:V143 R:R:W133 6.13 2 No Yes 5 8 2 1
R:R:C217 R:R:W133 10.45 2 No Yes 9 8 2 1
L:L:?1 R:R:W133 4.49 2 Yes Yes 0 8 0 1
R:R:C140 R:R:C217 7.28 2 No No 9 9 2 2
R:R:C217 R:R:I144 3.27 2 No No 9 5 2 1
R:R:I144 R:R:L219 2.85 0 No No 5 5 1 2
L:L:?1 R:R:I144 7.88 2 Yes No 0 5 0 1
R:R:D147 R:R:Y326 9.2 2 No Yes 6 7 1 1
L:L:?1 R:R:D147 17.14 2 Yes No 0 6 0 1
R:R:V202 R:R:Y148 6.31 0 No No 5 4 2 1
R:R:L232 R:R:Y148 3.52 0 No No 5 4 2 1
L:L:?1 R:R:Y148 13.88 2 Yes No 0 4 0 1
R:R:F152 R:R:M151 2.49 2 Yes Yes 7 7 2 1
R:R:I155 R:R:M151 2.92 2 Yes Yes 8 7 2 1
R:R:M151 R:R:V236 3.04 2 Yes No 7 5 1 2
R:R:M151 R:R:W293 3.49 2 Yes Yes 7 8 1 1
L:L:?1 R:R:M151 8.93 2 Yes Yes 0 7 0 1
R:R:F152 R:R:V236 2.62 2 Yes No 7 5 2 2
R:R:F289 R:R:I155 2.51 2 Yes Yes 9 8 2 2
R:R:I155 R:R:W293 7.05 2 Yes Yes 8 8 2 1
R:R:L219 R:R:V202 5.96 0 No No 5 5 2 2
R:R:H297 R:R:V236 2.77 2 Yes No 8 5 1 2
R:R:F237 R:R:F241 5.36 2 Yes Yes 5 8 2 2
R:R:F237 R:R:H297 5.66 2 Yes Yes 5 8 2 1
R:R:F241 R:R:H297 13.58 2 Yes Yes 8 8 2 1
R:R:F289 R:R:W293 12.03 2 Yes Yes 9 8 2 1
R:R:N328 R:R:W293 13.56 0 No Yes 9 8 2 1
L:L:?1 R:R:W293 7.19 2 Yes Yes 0 8 0 1
R:R:I296 R:R:W318 3.52 2 Yes Yes 6 5 1 1
R:R:C321 R:R:I296 3.27 0 No Yes 6 6 2 1
R:R:I296 R:R:I322 2.94 2 Yes Yes 6 5 1 1
L:L:?1 R:R:I296 4.51 2 Yes Yes 0 6 0 1
L:L:?1 R:R:H297 6.09 2 Yes Yes 0 8 0 1
R:R:W318 R:R:Y299 13.5 2 Yes No 5 4 1 2
R:R:C321 R:R:Y299 4.03 0 No No 6 4 2 2
R:R:V300 R:R:W318 3.68 0 No Yes 5 5 2 1
R:R:K303 R:R:W318 8.12 0 No Yes 4 5 2 1
R:R:H319 R:R:W318 3.17 2 Yes Yes 4 5 2 1
R:R:I322 R:R:W318 8.22 2 Yes Yes 5 5 1 1
L:L:?1 R:R:W318 2.7 2 Yes Yes 0 5 0 1
L:L:?1 R:R:I322 6.76 2 Yes Yes 0 5 0 1
L:L:?1 R:R:G325 2.7 2 Yes No 0 7 0 1
R:R:S329 R:R:Y326 3.82 0 No Yes 9 7 2 1
L:L:?1 R:R:Y326 14.8 2 Yes Yes 0 7 0 1
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub8.00
Average Interaction Strength7.95
Average Nodes In Shell39.00
Average Hubs In Shell19.00
Average Links In Shell59.00
Average Links Mediated by Hubs In Shell51.00
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 Hub8.00
Average Interaction Strength7.95
Average Nodes In Shell39.00
Average Hubs In Shell19.00
Average Links In Shell59.00
Average Links Mediated by Hubs In Shell51.00

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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 🔍)