CodeNG0
NameAlvimopan
SynonymsAlvimopan
Identifier2-[[(2~{S})-2-[[(3~{R},4~{R})-4-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-yl]methyl]-3-phenyl-propanoyl]amino]ethanoic acid
FormulaC25 H32 N2 O4
Molecular Weight424.533
SMILESC[C@H]1CN(CC[C@@]1(C)c2cccc(c2)O)C[C@H](Cc3ccccc3)C(=O)NCC(=O)O
PubChem5488548
Formal Charge0
Total Atoms63
Total Chiral Atoms3
Total Bonds65
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
7UL4 A Peptide Opioid MOP Mus musculus Alvimopan - - 2.8 2022-06-29 10.1038/s41594-022-00859-8

A 2D representation of the interactions of NG0 in 7UL4
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 15.24 1 No Yes 7 7 2 2
R:R:Y326 R:R:Y75 2.98 1 Yes Yes 7 7 1 2
R:R:L121 R:R:Y326 4.69 1 No Yes 7 7 2 1
R:R:Q124 R:R:Y326 6.76 1 No Yes 6 7 1 1
L:L:?1 R:R:Q124 18.75 1 Yes No 0 6 0 1
R:R:N127 R:R:W133 10.17 0 No Yes 6 8 2 1
R:R:F135 R:R:W133 14.03 0 Yes Yes 7 8 2 1
R:R:C217 R:R:W133 9.14 0 Yes Yes 9 8 2 1
L:L:?1 R:R:W133 3.56 1 Yes Yes 0 8 0 1
R:R:A206 R:R:I144 4.87 0 No No 4 5 2 1
R:R:C217 R:R:I144 3.27 0 Yes No 9 5 2 1
L:L:?1 R:R:I144 4.47 1 Yes No 0 5 0 1
R:R:D147 R:R:Y326 6.9 1 No Yes 6 7 1 1
L:L:?1 R:R:D147 18.05 1 Yes No 0 6 0 1
R:R:L219 R:R:Y148 3.52 0 No No 5 4 1 2
R:R:M151 R:R:W293 8.14 0 No Yes 7 8 1 2
L:L:?1 R:R:M151 11.06 1 Yes No 0 7 0 1
R:R:F152 R:R:V236 3.93 0 No No 7 5 2 1
R:R:F221 R:R:L219 3.65 0 Yes No 5 5 2 1
L:L:?1 R:R:L219 8.66 1 Yes No 0 5 0 1
R:R:K233 R:R:V300 7.59 0 No No 4 5 2 1
L:L:?1 R:R:V236 5.83 1 Yes No 0 5 0 1
R:R:C321 R:R:I296 3.27 0 No No 6 6 2 1
L:L:?1 R:R:I296 7.82 1 Yes No 0 6 0 1
L:L:?1 R:R:V300 8.16 1 Yes No 0 5 0 1
R:R:I322 R:R:W318 7.05 1 No No 5 5 1 2
R:R:I322 R:R:Y326 3.63 1 No Yes 5 7 1 1
L:L:?1 R:R:I322 4.47 1 Yes No 0 5 0 1
L:L:?1 R:R:Y326 4.59 1 Yes Yes 0 7 0 1
R:R:Q124 R:R:T120 2.83 1 No Yes 6 6 1 2
R:R:G136 R:R:W133 1.41 0 No Yes 7 8 2 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub2.00
Average Interaction Strength8.67
Average Nodes In Shell27.00
Average Hubs In Shell9.00
Average Links In Shell31.00
Average Links Mediated by Hubs In Shell25.00
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 Links11.00
Average Number Of Links With An Hub2.00
Average Interaction Strength8.67
Average Nodes In Shell27.00
Average Hubs In Shell9.00
Average Links In Shell31.00
Average Links Mediated by Hubs In Shell25.00

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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 🔍)