CodeWH2
NameOliceridine
SynonymsOliceridine
Identifier~{N}-[(3-methoxythiophen-2-yl)methyl]-2-[(9~{R})-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
FormulaC22 H30 N2 O2 S
Molecular Weight386.551
SMILESCOc1ccsc1CNCC[C@]2(CCOC3(C2)CCCC3)c4ccccn4
PubChem66553195
Formal Charge0
Total Atoms57
Total Chiral Atoms1
Total Bonds60
Total Aromatic Bonds11
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
8EFB A Peptide Opioid MOP Homo sapiens Oliceridine - Gi1/Beta1/Gamma2 3.2  2022-11-09 10.1016/j.cell.2022.09.041

A 2D representation of the interactions of WH2 in 8EFB
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:L123 R:R:Y77 4.69 0 Yes Yes 7 7 2 2
R:R:I324 R:R:Y77 6.04 0 No Yes 5 7 1 2
R:R:L123 R:R:Y328 16.41 0 Yes Yes 7 7 2 1
R:R:D149 R:R:Q126 7.83 4 No No 5 6 1 1
R:R:Q126 R:R:Y328 12.4 4 No Yes 6 7 1 1
L:L:?1 R:R:Q126 13.64 4 Yes No 0 6 0 1
R:R:C142 R:R:W135 5.22 4 No Yes 9 8 2 2
R:R:C219 R:R:W135 10.45 4 Yes Yes 9 8 1 2
R:R:C142 R:R:C219 7.28 4 No Yes 9 9 2 1
R:R:A208 R:R:I146 4.87 0 No No 5 4 2 1
R:R:C219 R:R:I146 3.27 4 Yes No 9 4 1 1
L:L:?1 R:R:I146 6.1 4 Yes No 0 4 0 1
R:R:D149 R:R:Y328 9.2 4 No Yes 5 7 1 1
L:L:?1 R:R:D149 8.12 4 Yes No 0 5 0 1
R:R:V204 R:R:Y150 3.79 0 No No 5 4 2 1
L:L:?1 R:R:Y150 6.01 4 Yes No 0 4 0 1
R:R:M153 R:R:W295 5.82 4 No Yes 7 8 1 1
L:L:?1 R:R:M153 10.87 4 Yes No 0 7 0 1
R:R:I157 R:R:W295 7.05 0 No Yes 7 8 2 1
L:L:?1 R:R:C219 5.42 4 Yes Yes 0 9 0 1
R:R:F239 R:R:H299 6.79 0 No Yes 6 7 2 1
R:R:F243 R:R:H299 4.53 0 Yes Yes 8 7 2 1
R:R:F291 R:R:W295 12.03 0 No Yes 9 8 2 1
R:R:H299 R:R:W295 6.35 4 Yes Yes 7 8 1 1
R:R:N330 R:R:W295 7.91 0 Yes Yes 9 8 2 1
L:L:?1 R:R:W295 4.86 4 Yes Yes 0 8 0 1
R:R:C323 R:R:I298 4.91 0 No No 6 6 2 1
L:L:?1 R:R:I298 4.88 4 Yes No 0 6 0 1
L:L:?1 R:R:H299 3.29 4 Yes Yes 0 7 0 1
R:R:I324 R:R:W320 7.05 0 No Yes 5 4 1 2
L:L:?1 R:R:I324 9.75 4 Yes No 0 5 0 1
L:L:?1 R:R:G327 2.92 4 Yes No 0 7 0 1
L:L:?1 R:R:Y328 10.01 4 Yes Yes 0 7 0 1
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub4.00
Average Interaction Strength7.16
Average Nodes In Shell26.00
Average Hubs In Shell11.00
Average Links In Shell33.00
Average Links Mediated by Hubs In Shell29.00
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 Links12.00
Average Number Of Links With An Hub4.00
Average Interaction Strength7.16
Average Nodes In Shell26.00
Average Hubs In Shell11.00
Average Links In Shell33.00
Average Links Mediated by Hubs In Shell29.00

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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 🔍)