CodeKZR
NameN-(6-carbamimidamidohexyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
Synonyms
Identifier~{N}-(6-carbamimidamidohexyl)-~{N}-[1-(2-phenylethyl)piperidin-4-yl]propanamide
FormulaC23 H39 N5 O
Molecular Weight401.589
SMILES[H]/N=C(\N)/NCCCCCCN(C1CCN(CC1)CCc2ccccc2)C(=O)CC
PubChem10363696
Formal Charge0
Total Atoms68
Total Chiral Atoms0
Total Bonds69
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
7U2K A Peptide Opioid MOP Mus musculus C6-guano - Gi1/Beta1/Gamma2 3.3 2022-12-07 10.1038/s41586-022-05588-y

A 2D representation of the interactions of KZR in 7U2K
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 0 Yes Yes 7 7 2 2
R:R:I322 R:R:Y75 4.84 4 Yes Yes 5 7 1 2
R:R:D114 R:R:S154 4.42 11 Yes No 9 9 2 1
R:R:D114 R:R:S329 11.78 11 Yes No 9 9 2 1
R:R:A117 R:R:N150 4.69 0 No Yes 7 8 1 2
L:L:?1 R:R:A117 3.96 4 Yes No 0 7 0 1
R:R:L121 R:R:Y326 3.52 0 Yes Yes 7 7 2 1
R:R:F123 R:R:V143 6.55 4 No No 6 5 2 1
R:R:D147 R:R:Q124 2.61 4 No No 6 6 1 1
R:R:Q124 R:R:Y326 5.64 4 No Yes 6 7 1 1
L:L:?1 R:R:Q124 15.61 4 Yes No 0 6 0 1
L:L:?1 R:R:V143 2.5 4 Yes No 0 5 0 1
R:R:I144 R:R:Y148 2.42 4 Yes No 5 4 1 1
R:R:C217 R:R:I144 3.27 4 No Yes 9 5 2 1
R:R:I144 R:R:L219 2.85 4 Yes No 5 5 1 2
L:L:?1 R:R:I144 8.37 4 Yes Yes 0 5 0 1
R:R:D147 R:R:Y326 5.75 4 No Yes 6 7 1 1
L:L:?1 R:R:D147 9.09 4 Yes No 0 6 0 1
R:R:L232 R:R:Y148 2.34 0 No No 5 4 2 1
L:L:?1 R:R:Y148 10.8 4 Yes No 0 4 0 1
R:R:F152 R:R:M151 6.22 0 Yes No 7 7 2 1
R:R:M151 R:R:W293 4.65 4 No Yes 7 8 1 1
L:L:?1 R:R:M151 5.92 4 Yes No 0 7 0 1
L:L:?1 R:R:S154 2.52 4 Yes No 0 9 0 1
R:R:I155 R:R:W293 4.7 0 No Yes 8 8 2 1
R:R:F237 R:R:F241 2.14 4 No Yes 5 8 2 2
R:R:F237 R:R:H297 5.66 4 No Yes 5 8 2 1
R:R:F241 R:R:H297 9.05 4 Yes Yes 8 8 2 1
R:R:F289 R:R:W293 6.01 0 Yes Yes 9 8 2 1
R:R:H297 R:R:W293 4.23 4 Yes Yes 8 8 1 1
R:R:N328 R:R:W293 9.04 0 No Yes 9 8 2 1
L:L:?1 R:R:W293 10.49 4 Yes Yes 0 8 0 1
R:R:H297 R:R:I296 2.65 4 Yes Yes 8 6 1 1
R:R:I296 R:R:V300 3.07 4 Yes No 6 5 1 2
R:R:I296 R:R:W318 2.35 4 Yes Yes 6 5 1 2
R:R:C321 R:R:I296 4.91 0 No Yes 6 6 2 1
R:R:I296 R:R:I322 4.42 4 Yes Yes 6 5 1 1
L:L:?1 R:R:I296 2.39 4 Yes Yes 0 6 0 1
L:L:?1 R:R:H297 5.38 4 Yes Yes 0 8 0 1
R:R:V300 R:R:W318 2.45 4 No Yes 5 5 2 2
R:R:I322 R:R:W318 4.7 4 Yes Yes 5 5 1 2
R:R:I322 R:R:Y326 2.42 4 Yes Yes 5 7 1 1
L:L:?1 R:R:I322 3.59 4 Yes Yes 0 5 0 1
L:L:?1 R:R:Y326 14.73 4 Yes Yes 0 7 0 1
L:L:?1 R:R:S329 5.03 4 Yes No 0 9 0 1
R:R:T120 R:R:V143 1.59 0 No No 6 5 2 1
L:L:?1 R:R:G325 1.43 4 Yes No 0 7 0 1
StatisticsValue
Average Number Of Links15.00
Average Number Of Links With An Hub6.00
Average Interaction Strength6.79
Average Nodes In Shell34.00
Average Hubs In Shell15.00
Average Links In Shell47.00
Average Links Mediated by Hubs In Shell43.00
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 Links15.00
Average Number Of Links With An Hub6.00
Average Interaction Strength6.79
Average Nodes In Shell34.00
Average Hubs In Shell15.00
Average Links In Shell47.00
Average Links Mediated by Hubs In Shell43.00

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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 🔍)