CodeL0X
NameN-(5-carbamimidamidopentyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
Synonyms
Identifier~{N}-(5-carbamimidamidopentyl)-~{N}-[1-(2-phenylethyl)piperidin-4-yl]propanamide
FormulaC22 H37 N5 O
Molecular Weight387.562
SMILES[H]/N=C(/N)\NCCCCCN(C1CCN(CC1)CCc2ccccc2)C(=O)CC
PubChem163201242
Formal Charge0
Total Atoms65
Total Chiral Atoms0
Total Bonds66
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
7U2L A Peptide Opioid MOP Mus musculus PubChem 163201242 - Gi1/Beta1/Gamma2 3.2 2022-05-04 10.1038/s41586-022-05588-y

A 2D representation of the interactions of L0X in 7U2L
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 3 Yes Yes 7 7 2 2
R:R:I322 R:R:Y75 7.25 3 Yes Yes 5 7 1 2
R:R:D114 R:R:S329 11.78 8 Yes No 9 9 2 1
R:R:Q124 R:R:T120 4.25 3 Yes Yes 6 6 1 2
R:R:D147 R:R:T120 8.67 3 Yes Yes 6 6 1 2
R:R:L121 R:R:Y326 7.03 3 Yes Yes 7 7 2 1
R:R:F123 R:R:W133 5.01 3 No Yes 6 8 2 1
R:R:F123 R:R:F135 7.5 3 No Yes 6 7 2 2
R:R:F123 R:R:V143 5.24 3 No No 6 5 2 2
R:R:D147 R:R:Q124 5.22 3 Yes Yes 6 6 1 1
R:R:Q124 R:R:Y326 4.51 3 Yes Yes 6 7 1 1
L:L:?1 R:R:Q124 14.71 3 Yes Yes 0 6 0 1
R:R:N127 R:R:W133 7.91 0 No Yes 6 8 2 1
R:R:P134 R:R:W133 5.4 3 No Yes 4 8 2 1
R:R:F135 R:R:W133 11.02 3 Yes Yes 7 8 2 1
R:R:C140 R:R:W133 5.22 3 Yes Yes 9 8 2 1
R:R:V143 R:R:W133 6.13 3 No Yes 5 8 2 1
R:R:C217 R:R:W133 6.53 3 Yes Yes 9 8 2 1
L:L:?1 R:R:W133 4.2 3 Yes Yes 0 8 0 1
R:R:F135 R:R:P134 11.56 3 Yes No 7 4 2 2
R:R:C140 R:R:I144 3.27 3 Yes Yes 9 5 2 1
R:R:C140 R:R:C217 5.46 3 Yes Yes 9 9 2 2
R:R:I144 R:R:V202 3.07 3 Yes No 5 5 1 2
R:R:C217 R:R:I144 3.27 3 Yes Yes 9 5 2 1
R:R:I144 R:R:L219 5.71 3 Yes No 5 5 1 2
L:L:?1 R:R:I144 6.31 3 Yes Yes 0 5 0 1
R:R:D147 R:R:Y326 8.05 3 Yes Yes 6 7 1 1
L:L:?1 R:R:D147 13 3 Yes Yes 0 6 0 1
R:R:L219 R:R:Y148 4.69 0 No No 5 4 2 1
L:L:?1 R:R:Y148 6.05 3 Yes No 0 4 0 1
R:R:F152 R:R:M151 3.73 0 Yes No 7 7 2 1
R:R:M151 R:R:W293 4.65 3 No Yes 7 8 1 1
L:L:?1 R:R:M151 4.17 3 Yes No 0 7 0 1
R:R:I155 R:R:W293 5.87 0 No Yes 8 8 2 1
R:R:K233 R:R:V300 3.04 0 No No 4 5 2 1
R:R:F237 R:R:F241 3.22 3 Yes Yes 5 8 2 2
R:R:F237 R:R:H297 4.53 3 Yes Yes 5 8 2 1
R:R:F241 R:R:H297 11.31 3 Yes Yes 8 8 2 1
R:R:F289 R:R:W293 12.03 0 No Yes 9 8 2 1
R:R:H297 R:R:W293 6.35 3 Yes Yes 8 8 1 1
R:R:N328 R:R:W293 7.91 0 No Yes 9 8 2 1
L:L:?1 R:R:W293 11.75 3 Yes Yes 0 8 0 1
R:R:H297 R:R:I296 3.98 3 Yes Yes 8 6 1 1
R:R:C321 R:R:I296 3.27 0 No Yes 6 6 2 1
R:R:I296 R:R:I322 4.42 3 Yes Yes 6 5 1 1
L:L:?1 R:R:I296 3.16 3 Yes Yes 0 6 0 1
L:L:?1 R:R:H297 4.74 3 Yes Yes 0 8 0 1
L:L:?1 R:R:V300 3.29 3 Yes No 0 5 0 1
R:R:I322 R:R:W318 5.87 3 Yes No 5 5 1 2
L:L:?1 R:R:I322 4.21 3 Yes Yes 0 5 0 1
L:L:?1 R:R:Y326 18.14 3 Yes Yes 0 7 0 1
L:L:?1 R:R:S329 6.64 3 Yes No 0 9 0 1
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub9.00
Average Interaction Strength7.72
Average Nodes In Shell36.00
Average Hubs In Shell20.00
Average Links In Shell52.00
Average Links Mediated by Hubs In Shell49.00
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 Hub9.00
Average Interaction Strength7.72
Average Nodes In Shell36.00
Average Hubs In Shell20.00
Average Links In Shell52.00
Average Links Mediated by Hubs In Shell49.00

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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 🔍)