CodeXT9
Name6beta-amino-17-propyl-5alpha,9alpha,13alpha-4,5-epoxymorphinan-3,14-diol
Synonyms
Identifier
FormulaC19 H26 N2 O3
Molecular Weight330.421
SMILES
PubChem169491067
Formal Charge0
Total Atoms50
Total Chiral Atoms5
Total Bonds54
Total Aromatic Bonds6
Networks2
 missing image

This ligand is also present in the following 2 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8FEG A Peptide Opioid KOP Homo Sapiens (DNCP)-Beta-Naloxamine - Gi1/Beta1/Gamma2 2.54 2023-12-06 doi.org/10.1038/s41467-023-43718-w

A 2D representation of the interactions of XT9 in 8FEG
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
L:L:?9 L:L:C7 2.69 3 Yes Yes 0 0 1 2
L:L:C7 R:R:Y312 5.38 3 Yes Yes 0 4 2 2
L:L:?9 L:L:T8 9.99 3 Yes Yes 0 0 1 2
L:L:T8 R:R:W124 3.64 3 Yes Yes 0 8 2 2
L:L:T8 R:R:C210 5.07 3 Yes Yes 0 9 2 2
L:L:?10 L:L:?9 18.4 3 Yes Yes 0 0 0 1
L:L:?9 R:R:Q115 7.89 3 Yes No 0 7 1 2
L:L:?9 R:R:W124 3.86 3 Yes Yes 0 8 1 2
L:L:?9 R:R:V134 3.79 3 Yes No 0 6 1 2
L:L:?9 R:R:L135 11.73 3 Yes No 0 4 1 2
L:L:?9 R:R:D138 2.3 3 Yes No 0 6 1 1
L:L:?9 R:R:C210 5.38 3 Yes Yes 0 9 1 2
L:L:?10 R:R:D138 10.08 3 Yes No 0 6 0 1
L:L:?10 R:R:Y139 3.87 3 Yes No 0 5 0 1
L:L:?10 R:R:M142 8.17 3 Yes No 0 7 0 1
L:L:?10 R:R:K227 4.66 3 Yes Yes 0 4 0 1
L:L:?10 R:R:V230 4.92 3 Yes No 0 5 0 1
L:L:?10 R:R:I290 8.25 3 Yes No 0 6 0 1
L:L:?10 R:R:I294 20.03 3 Yes No 0 5 0 1
L:L:?10 R:R:I316 4.71 3 Yes Yes 0 5 0 1
L:L:?10 R:R:G319 2.82 3 Yes No 0 7 0 1
L:L:?10 R:R:Y320 9.68 3 Yes Yes 0 6 0 1
R:R:Y119 R:R:Y66 7.94 3 Yes Yes 4 6 2 2
R:R:I316 R:R:Y66 2.42 3 Yes Yes 5 6 1 2
R:R:V108 R:R:Y320 2.52 0 No Yes 7 6 2 1
R:R:D138 R:R:T111 2.89 3 No No 6 7 1 2
R:R:T111 R:R:Y320 2.5 0 No Yes 7 6 2 1
R:R:M112 R:R:Y320 16.76 3 Yes Yes 7 6 2 1
R:R:Q115 R:R:Y119 16.91 0 No Yes 7 4 2 2
R:R:Q115 R:R:Y320 5.64 0 No Yes 7 6 2 1
R:R:Y119 R:R:Y312 2.98 3 Yes Yes 4 4 2 2
R:R:I316 R:R:Y119 8.46 3 Yes Yes 5 4 1 2
R:R:V134 R:R:W124 3.68 3 No Yes 6 8 2 2
R:R:C210 R:R:W124 22.2 3 Yes Yes 9 8 2 2
R:R:L135 R:R:L212 2.77 0 No Yes 4 4 2 2
R:R:L212 R:R:Y139 4.69 0 Yes No 4 5 2 1
R:R:V230 R:R:Y139 2.52 3 No No 5 5 1 1
R:R:F143 R:R:M142 4.98 0 Yes No 6 7 2 1
R:R:M142 R:R:W287 2.33 0 No Yes 7 8 1 2
R:R:D223 R:R:K227 9.68 0 No Yes 4 4 2 1
R:R:I294 R:R:K227 4.36 3 No Yes 5 4 1 1
R:R:H291 R:R:W287 4.23 3 Yes Yes 8 8 2 2
R:R:G319 R:R:W287 2.81 0 No Yes 7 8 1 2
R:R:H291 R:R:I290 3.98 3 Yes No 8 6 2 1
R:R:I290 R:R:I316 2.94 3 No Yes 6 5 1 1
R:R:I316 R:R:Y312 9.67 3 Yes Yes 5 4 1 2
R:R:I316 R:R:Y320 4.84 3 Yes Yes 5 6 1 1
R:R:A298 R:R:K227 1.61 0 No Yes 4 4 2 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub4.00
Average Interaction Strength8.69
Average Nodes In Shell31.00
Average Hubs In Shell17.00
Average Links In Shell48.00
Average Links Mediated by Hubs In Shell46.00
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 Hub4.00
Average Interaction Strength8.69
Average Nodes In Shell29.00
Average Hubs In Shell14.50
Average Links In Shell41.00
Average Links Mediated by Hubs In Shell38.50

missing image


Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

missing image


Location of the nodes interacting with this ligand

(Click to enlarge 🔍)