CodeXT9
Name6beta-amino-17-propyl-5alpha,9alpha,13alpha-4,5-epoxymorphinan-3,14-diol
Synonyms
Identifier(4~{S},4~{a}~{S},7~{R},7~{a}~{R},12~{b}~{R})-7-azanyl-3-propyl-1,2,4,5,6,7,7~{a},13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4~{a},9-diol
FormulaC19 H26 N2 O3
Molecular Weight330.421
SMILESCCCN1CC[C@@]23c4c5ccc(c4O[C@H]2[C@@H](CC[C@]3([C@@H]1C5)O)N)O
PubChem169491067
Formal Charge0
Total Atoms50
Total Chiral Atoms5
Total Bonds54
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
8FEG A Peptide Opioid KOP Homo Sapiens PRD_002517 - Gi1/Beta1/Gamma2 2.54 2023-12-06 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
R:R:Q115 R:R:Y66 6.76 1 Yes Yes 7 6 2 2
R:R:Y119 R:R:Y66 5.96 1 Yes Yes 4 6 2 2
R:R:Y320 R:R:Y66 6.95 1 Yes Yes 6 6 1 2
R:R:M112 R:R:Y320 16.76 0 Yes Yes 7 6 2 1
R:R:Q115 R:R:Y119 16.91 1 Yes Yes 7 4 2 2
R:R:Q115 R:R:Y320 5.64 1 Yes Yes 7 6 2 1
L:L:?9 R:R:Q115 7.93 1 Yes Yes 0 7 1 2
R:R:I316 R:R:Y119 8.46 1 Yes Yes 5 4 1 2
L:L:?9 R:R:V134 5.07 1 Yes No 0 6 1 2
L:L:?9 R:R:L135 4.71 1 Yes No 0 4 1 2
L:L:?10 R:R:D138 13.51 1 Yes No 0 6 0 1
R:R:F143 R:R:M142 3.73 0 Yes No 6 7 2 1
L:L:?10 R:R:M142 8.21 1 Yes No 0 7 0 1
L:L:T8 R:R:C210 5.07 1 Yes Yes 0 9 2 2
L:L:?9 R:R:C210 5.4 1 Yes Yes 0 9 1 2
R:R:D223 R:R:K227 6.91 0 No Yes 4 4 2 1
R:R:I294 R:R:K227 4.36 1 No Yes 5 4 1 1
R:R:A298 R:R:K227 3.21 0 No Yes 4 4 2 1
L:L:?10 R:R:K227 4.68 1 Yes Yes 0 4 0 1
L:L:?10 R:R:V230 4.94 1 Yes No 0 5 0 1
R:R:H291 R:R:I290 3.98 1 Yes No 8 6 2 1
R:R:I290 R:R:I316 4.42 1 No Yes 6 5 1 1
L:L:?10 R:R:I290 8.29 1 Yes No 0 6 0 1
R:R:F293 R:R:Y312 8.25 1 No Yes 5 4 2 1
L:L:?10 R:R:I294 20.13 1 Yes No 0 5 0 1
R:R:I316 R:R:Y312 7.25 1 Yes Yes 5 4 1 1
L:L:?1 R:R:Y312 12.32 1 Yes Yes 0 4 2 1
L:L:?10 R:R:Y312 3.89 1 Yes Yes 0 4 0 1
R:R:I316 R:R:Y320 4.84 1 Yes Yes 5 6 1 1
L:L:?10 R:R:I316 7.1 1 Yes Yes 0 5 0 1
L:L:?10 R:R:Y320 10.7 1 Yes Yes 0 6 0 1
L:L:?9 L:L:T8 10.04 1 Yes Yes 0 0 1 2
L:L:?10 L:L:?9 18.57 1 Yes Yes 0 0 0 1
L:L:?10 R:R:G319 2.84 1 Yes No 0 7 0 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub5.00
Average Interaction Strength9.35
Average Nodes In Shell26.00
Average Hubs In Shell15.00
Average Links In Shell34.00
Average Links Mediated by Hubs In Shell34.00
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 Hub5.00
Average Interaction Strength9.35
Average Nodes In Shell26.00
Average Hubs In Shell15.00
Average Links In Shell34.00
Average Links Mediated by Hubs In Shell34.00

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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 🔍)