Code0NN
Name1-benzyl-N-[3-(1'H,3H-spiro[2-benzofuran-1,4'-piperidin]-1'-yl)propyl]-D-prolinamide
Synonyms
Identifier(2R)-1-(phenylmethyl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)pyrrolidine-2-carboxamide
FormulaC27 H35 N3 O2
Molecular Weight433.586
SMILESc1ccc(cc1)CN2CCC[C@@H]2C(=O)NCCCN3CCC4(CC3)c5ccccc5CO4
PubChem10296561
Formal Charge0
Total Atoms67
Total Chiral Atoms1
Total Bonds71
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
4EA3 A Peptide Opioid NOP Homo sapiens PubChem 10296561 - - 3.01 2012-04-25 10.1038/nature11085

A 2D representation of the interactions of 0NN in 4EA3
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:L104 R:R:Y58 4.69 1 Yes Yes 7 7 2 2
R:R:Y309 R:R:Y58 4.96 1 Yes Yes 6 7 1 2
R:R:Q107 R:R:T103 5.67 1 No No 5 6 1 2
R:R:L104 R:R:Y309 5.86 1 Yes Yes 7 6 2 1
R:R:Q107 R:R:Y309 11.27 1 No Yes 5 6 1 1
L:L:?1 R:R:Q107 12.44 1 Yes No 0 5 0 1
R:R:D110 R:R:W116 8.93 0 No Yes 4 8 1 2
L:L:?1 R:R:D110 7.25 1 Yes No 0 4 0 1
R:R:C200 R:R:W116 7.84 2 No Yes 9 8 2 2
R:R:C200 R:R:I127 3.27 2 No No 9 4 2 1
L:L:?1 R:R:I127 10.48 1 Yes No 0 4 0 1
R:R:D130 R:R:Y131 3.45 1 No No 6 4 1 1
R:R:D130 R:R:Y309 5.75 1 No Yes 6 6 1 1
L:L:?1 R:R:D130 22.66 1 Yes No 0 6 0 1
R:R:V185 R:R:Y131 8.83 0 No No 4 4 2 1
L:L:?1 R:R:Y131 14.09 1 Yes No 0 4 0 1
R:R:M134 R:R:W276 13.96 0 No Yes 7 8 1 2
L:L:?1 R:R:M134 15.11 1 Yes No 0 7 0 1
R:R:F135 R:R:S223 9.25 0 No Yes 6 6 2 1
R:R:F220 R:R:Q280 3.51 0 No Yes 5 7 2 1
R:R:Q280 R:R:S223 4.33 1 Yes Yes 7 6 1 1
L:L:?1 R:R:S223 5.01 1 Yes Yes 0 6 0 1
R:R:F224 R:R:Q280 16.4 0 No Yes 8 7 2 1
R:R:W276 R:R:Y309 3.86 1 Yes Yes 8 6 2 1
L:L:?1 R:R:Q280 8.89 1 Yes Yes 0 7 0 1
L:L:?1 R:R:V283 5.97 1 Yes No 0 5 0 1
L:L:?1 R:R:Y309 6.26 1 Yes Yes 0 6 0 1
R:R:I219 R:R:S223 3.1 0 No Yes 4 6 2 1
R:R:I127 R:R:V202 3.07 0 No No 4 4 1 2
R:R:L301 R:R:T305 2.95 0 No No 4 5 2 1
L:L:?1 R:R:T305 2.95 1 Yes No 0 5 0 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub3.00
Average Interaction Strength10.10
Average Nodes In Shell25.00
Average Hubs In Shell8.00
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 Hub3.00
Average Interaction Strength10.10
Average Nodes In Shell25.00
Average Hubs In Shell8.00
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 🔍)