CodeIXO
Name4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium
SynonymsIperoxo
Identifier4-(4,5-dihydro-1,2-oxazol-3-yloxy)but-2-ynyl-trimethyl-azanium
FormulaC10 H17 N2 O2
Molecular Weight197.254
SMILESC[N+](C)(C)CC#CCOC1=NOCC1
PubChem10104167
Formal Charge1
Total Atoms31
Total Chiral Atoms0
Total Bonds31
Total Aromatic Bonds0
Networks10
 missing image

This ligand is also present in the following 10 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
4MQS A Amine Acetylcholine (muscarinic) M2 Homo sapiens Iperoxo - - 3.5 2013-11-27 10.1038/nature12735

A 2D representation of the interactions of IXO in 4MQS
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:I72 R:R:S76 6.19 0 Yes No 8 8 2 2
R:R:I72 R:R:S107 4.64 0 Yes No 8 8 2 1
R:R:D103 R:R:S76 11.78 1 No No 9 8 1 2
R:R:S76 R:R:Y430 8.9 1 No Yes 8 9 2 2
R:R:Y426 R:R:Y80 25.81 1 Yes Yes 7 8 1 2
R:R:Y430 R:R:Y80 5.96 1 Yes Yes 9 8 2 2
R:R:L100 R:R:Y104 4.69 1 No Yes 7 8 2 1
R:R:I178 R:R:L100 7.14 1 Yes No 7 7 2 2
R:R:D103 R:R:Y430 11.49 1 No Yes 9 9 1 2
L:L:?1 R:R:D103 8.71 1 Yes No 0 9 0 1
R:R:W155 R:R:Y104 11.58 1 Yes Yes 8 8 1 1
R:R:I159 R:R:Y104 4.84 1 No Yes 8 8 2 1
R:R:I178 R:R:Y104 13.3 1 Yes Yes 7 8 2 1
R:R:F181 R:R:Y104 4.13 1 Yes Yes 5 8 2 1
R:R:Y104 R:R:Y403 6.95 1 Yes Yes 8 8 1 1
R:R:Y104 R:R:Y426 6.95 1 Yes Yes 8 7 1 1
L:L:?1 R:R:Y104 15.89 1 Yes Yes 0 8 0 1
R:R:S107 R:R:W400 7.41 1 No Yes 8 9 1 1
L:L:?1 R:R:S107 5.36 1 Yes No 0 8 0 1
R:R:M112 R:R:N108 7.01 0 No Yes 8 9 2 1
R:R:N108 R:R:S151 8.94 1 Yes No 9 9 1 2
R:R:N108 R:R:W155 14.69 1 Yes Yes 9 8 1 1
L:L:?1 R:R:N108 3.92 1 Yes Yes 0 9 0 1
R:R:F396 R:R:V111 6.55 1 Yes No 9 9 2 2
R:R:V111 R:R:W400 7.36 1 No Yes 9 9 2 1
R:R:T190 R:R:W155 7.28 0 No Yes 9 8 2 1
R:R:A194 R:R:W155 3.89 1 No Yes 8 8 1 1
L:L:?1 R:R:W155 8.94 1 Yes Yes 0 8 0 1
R:R:I159 R:R:I178 5.89 1 No Yes 8 7 2 2
R:R:F181 R:R:I178 11.3 1 Yes Yes 5 7 2 2
R:R:F181 R:R:V407 3.93 1 Yes No 5 8 2 2
L:L:?1 R:R:A194 5.62 1 Yes No 0 8 0 1
R:R:F195 R:R:Y196 12.38 1 Yes Yes 9 8 2 2
R:R:F195 R:R:F396 5.36 1 Yes Yes 9 9 2 2
R:R:F195 R:R:N404 18.12 1 Yes Yes 9 7 2 1
R:R:N404 R:R:Y196 4.65 1 Yes Yes 7 8 1 2
R:R:F396 R:R:W400 8.02 1 Yes Yes 9 9 2 1
R:R:T399 R:R:W400 4.85 1 No Yes 9 9 2 1
R:R:N432 R:R:T399 7.31 1 Yes No 9 9 2 2
R:R:C429 R:R:W400 7.84 1 No Yes 8 9 1 1
R:R:N432 R:R:W400 14.69 1 Yes Yes 9 9 2 1
L:L:?1 R:R:W400 18.69 1 Yes Yes 0 9 0 1
R:R:N404 R:R:Y403 8.14 1 Yes Yes 7 8 1 1
R:R:V407 R:R:Y403 8.83 0 No Yes 8 8 2 1
R:R:W422 R:R:Y403 3.86 1 No Yes 6 8 2 1
R:R:Y403 R:R:Y426 3.97 1 Yes Yes 8 7 1 1
R:R:C429 R:R:Y403 4.03 1 No Yes 8 8 1 1
L:L:?1 R:R:Y403 11.71 1 Yes Yes 0 8 0 1
L:L:?1 R:R:N404 8.81 1 Yes Yes 0 7 0 1
R:R:W422 R:R:Y426 5.79 1 No Yes 6 7 2 1
R:R:Y426 R:R:Y430 4.96 1 Yes Yes 7 9 1 2
L:L:?1 R:R:Y426 10.87 1 Yes Yes 0 7 0 1
L:L:?1 R:R:C429 4.53 1 Yes No 0 8 0 1
R:R:L154 R:R:W155 2.28 0 No Yes 8 8 2 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub7.00
Average Interaction Strength9.37
Average Nodes In Shell32.00
Average Hubs In Shell17.00
Average Links In Shell54.00
Average Links Mediated by Hubs In Shell53.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
4MQT A Amine Acetylcholine (muscarinic) M2 Homo sapiens Iperoxo LY2119620 - 3.7 2013-11-27 10.1038/nature12735

A 2D representation of the interactions of IXO in 4MQT
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:I72 R:R:S107 4.64 0 No No 8 8 2 1
R:R:D103 R:R:S76 10.31 1 No No 9 8 1 2
R:R:S76 R:R:Y430 10.17 1 No Yes 8 9 2 2
R:R:Y426 R:R:Y80 19.86 1 Yes Yes 7 8 1 2
R:R:Y430 R:R:Y80 5.96 1 Yes Yes 9 8 2 2
R:R:Y80 W:W:?2 10.34 1 Yes Yes 8 0 2 2
R:R:D103 R:R:Y430 10.34 1 No Yes 9 9 1 2
L:L:?1 R:R:D103 9.68 1 Yes No 0 9 0 1
R:R:W155 R:R:Y104 11.58 1 Yes Yes 8 8 1 1
R:R:I159 R:R:Y104 4.84 1 No Yes 8 8 2 1
R:R:I178 R:R:Y104 4.84 1 Yes Yes 7 8 2 1
R:R:F181 R:R:Y104 6.19 1 Yes Yes 5 8 2 1
R:R:Y104 R:R:Y403 7.94 1 Yes Yes 8 8 1 1
R:R:Y104 R:R:Y426 4.96 1 Yes Yes 8 7 1 1
L:L:?1 R:R:Y104 18.4 1 Yes Yes 0 8 0 1
R:R:S107 R:R:W400 6.18 1 No Yes 8 9 1 1
L:L:?1 R:R:S107 8.57 1 Yes No 0 8 0 1
R:R:M112 R:R:N108 8.41 0 No Yes 8 9 2 1
R:R:N108 R:R:S151 8.94 1 Yes No 9 9 1 2
R:R:N108 R:R:W155 12.43 1 Yes Yes 9 8 1 1
L:L:?1 R:R:N108 6.86 1 Yes Yes 0 9 0 1
R:R:F396 R:R:V111 7.87 1 Yes No 9 9 2 2
R:R:V111 R:R:W400 8.58 1 No Yes 9 9 2 1
R:R:L154 R:R:W155 10.25 0 No Yes 8 8 2 1
R:R:T190 R:R:W155 7.28 0 No Yes 9 8 2 1
L:L:?1 R:R:W155 8.94 1 Yes Yes 0 8 0 1
R:R:I159 R:R:I178 7.36 1 No Yes 8 7 2 2
R:R:F181 R:R:I178 7.54 1 Yes Yes 5 7 2 2
R:R:F181 R:R:V407 7.87 1 Yes No 5 8 2 2
L:L:?1 R:R:A194 5.62 1 Yes No 0 8 0 1
R:R:F195 R:R:Y196 14.44 1 Yes Yes 9 8 2 2
R:R:F195 R:R:F396 5.36 1 Yes Yes 9 9 2 2
R:R:F195 R:R:N404 19.33 1 Yes Yes 9 7 2 1
R:R:N404 R:R:Y196 4.65 1 Yes Yes 7 8 1 2
R:R:F396 R:R:W400 8.02 1 Yes Yes 9 9 2 1
R:R:T399 R:R:W400 6.06 1 Yes Yes 9 9 2 1
R:R:N432 R:R:T399 11.7 1 Yes Yes 9 9 2 2
R:R:C429 R:R:W400 6.53 0 No Yes 8 9 2 1
R:R:N432 R:R:W400 14.69 1 Yes Yes 9 9 2 1
L:L:?1 R:R:W400 13 1 Yes Yes 0 9 0 1
R:R:N404 R:R:Y403 8.14 1 Yes Yes 7 8 1 1
R:R:V407 R:R:Y403 6.31 0 No Yes 8 8 2 1
R:R:W422 R:R:Y403 4.82 1 Yes Yes 6 8 2 1
R:R:Y403 R:R:Y426 4.96 1 Yes Yes 8 7 1 1
L:L:?1 R:R:Y403 14.22 1 Yes Yes 0 8 0 1
L:L:?1 R:R:N404 8.81 1 Yes Yes 0 7 0 1
R:R:W422 W:W:?2 31.82 1 Yes Yes 6 0 2 2
L:L:?1 R:R:Y426 9.2 1 Yes Yes 0 7 0 1
R:R:Y426 W:W:?2 4.31 1 Yes Yes 7 0 1 2
R:R:V105 R:R:W155 1.23 0 No Yes 8 8 2 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub7.00
Average Interaction Strength10.33
Average Nodes In Shell33.00
Average Hubs In Shell19.00
Average Links In Shell50.00
Average Links Mediated by Hubs In Shell48.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
6OIJ A Amine Acetylcholine (muscarinic) M1 Homo sapiens Iperoxo - chim(NtGi1L-G11)/Beta1/Gamma2 3.3 2019-05-08 10.1126/science.aaw5188

A 2D representation of the interactions of IXO in 6OIJ
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:I74 R:R:S78 3.1 0 Yes No 8 8 2 2
R:R:I74 R:R:S109 4.64 0 Yes No 8 8 2 1
R:R:D105 R:R:S78 10.31 1 No No 9 8 1 2
R:R:S78 R:R:Y408 3.82 1 No Yes 8 8 2 1
R:R:M79 R:R:W405 8.14 1 No Yes 8 8 2 2
R:R:M79 R:R:Y408 11.97 1 No Yes 8 8 2 1
R:R:Y404 R:R:Y82 11.91 1 Yes Yes 7 7 1 2
R:R:W405 R:R:Y82 4.82 1 Yes Yes 8 7 2 2
R:R:Y408 R:R:Y82 6.95 1 Yes Yes 8 7 1 2
R:R:D105 R:R:Y408 9.2 1 No Yes 9 8 1 1
L:L:?1 R:R:D105 9.68 1 Yes No 0 9 0 1
R:R:W157 R:R:Y106 16.4 1 Yes Yes 8 8 1 1
R:R:I161 R:R:Y106 3.63 1 Yes Yes 7 8 2 1
R:R:I180 R:R:Y106 7.25 1 Yes Yes 7 8 2 1
R:R:Y106 R:R:Y381 7.94 1 Yes Yes 8 8 1 1
R:R:Y106 R:R:Y404 6.95 1 Yes Yes 8 7 1 1
L:L:?1 R:R:Y106 13.38 1 Yes Yes 0 8 0 1
R:R:S109 R:R:W378 3.71 1 No Yes 8 8 1 1
L:L:?1 R:R:S109 11.78 1 Yes No 0 8 0 1
R:R:M114 R:R:Q110 5.44 0 No Yes 7 8 2 1
R:R:Q110 R:R:S153 5.78 1 Yes No 8 8 1 2
R:R:Q110 R:R:W157 8.76 1 Yes Yes 8 8 1 1
R:R:A196 R:R:Q110 4.55 1 No Yes 8 8 1 1
L:L:?1 R:R:Q110 10.44 1 Yes Yes 0 8 0 1
R:R:F374 R:R:V113 3.93 1 Yes No 9 9 2 1
R:R:V113 R:R:W378 4.9 1 No Yes 9 8 1 1
L:L:?1 R:R:V113 5.31 1 Yes No 0 9 0 1
R:R:I161 R:R:W157 3.52 1 Yes Yes 7 8 2 1
R:R:T192 R:R:W157 4.85 0 No Yes 8 8 2 1
L:L:?1 R:R:W157 7.31 1 Yes Yes 0 8 0 1
R:R:I161 R:R:I180 5.89 1 Yes Yes 7 7 2 2
L:L:?1 R:R:A196 3.37 1 Yes No 0 8 0 1
R:R:F197 R:R:Y198 11.35 1 Yes Yes 9 7 1 2
R:R:F197 R:R:V201 7.87 1 Yes No 9 7 1 2
R:R:F197 R:R:W378 6.01 1 Yes Yes 9 8 1 1
R:R:F197 R:R:T379 3.89 1 Yes Yes 9 7 1 2
R:R:F197 R:R:N382 25.37 1 Yes No 9 8 1 2
L:L:?1 R:R:F197 5.21 1 Yes Yes 0 9 0 1
R:R:N382 R:R:Y198 3.49 1 No Yes 8 7 2 2
R:R:F374 R:R:V201 3.93 1 Yes No 9 7 2 2
R:R:F374 R:R:W378 8.02 1 Yes Yes 9 8 2 1
R:R:T377 R:R:W378 3.64 1 No Yes 8 8 2 1
R:R:N410 R:R:T377 7.31 1 No No 9 8 2 2
R:R:C407 R:R:W378 16.98 1 No Yes 8 8 1 1
R:R:N410 R:R:W378 10.17 1 No Yes 9 8 2 1
L:L:?1 R:R:W378 16.25 1 Yes Yes 0 8 0 1
R:R:N382 R:R:Y381 8.14 1 No Yes 8 8 2 1
R:R:V385 R:R:Y381 6.31 0 No Yes 8 8 2 1
R:R:Y381 R:R:Y404 3.97 1 Yes Yes 8 7 1 1
L:L:?1 R:R:Y381 8.36 1 Yes Yes 0 8 0 1
L:L:?1 R:R:Y404 10.03 1 Yes Yes 0 7 0 1
R:R:W405 R:R:Y408 18.33 1 Yes Yes 8 8 2 1
L:L:?1 R:R:C407 4.53 1 Yes No 0 8 0 1
L:L:?1 R:R:Y408 5.85 1 Yes Yes 0 8 0 1
R:R:W400 R:R:Y404 2.89 0 Yes Yes 7 7 2 1
R:R:L156 R:R:Q110 2.66 0 No Yes 8 8 2 1
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub8.00
Average Interaction Strength8.58
Average Nodes In Shell34.00
Average Hubs In Shell18.00
Average Links In Shell56.00
Average Links Mediated by Hubs In Shell54.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
6OIK A Amine Acetylcholine (muscarinic) M2 Homo sapiens Iperoxo LY2119620 chim(NtGi1-Go)/Beta1/Gamma2 3.6 2019-05-08 10.1126/science.aaw5188

A 2D representation of the interactions of IXO in 6OIK
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:I72 R:R:S76 7.74 2 Yes Yes 8 8 2 2
R:R:D103 R:R:I72 2.8 2 Yes Yes 9 8 2 2
R:R:I72 R:R:S107 4.64 2 Yes No 8 8 2 1
R:R:I72 R:R:Y430 2.42 2 Yes Yes 8 9 2 1
R:R:D103 R:R:S76 10.31 2 Yes Yes 9 8 2 2
R:R:S76 R:R:Y430 3.82 2 Yes Yes 8 9 2 1
R:R:M77 R:R:Y430 4.79 0 No Yes 9 9 2 1
R:R:Y426 R:R:Y80 14.89 2 Yes Yes 7 8 1 2
R:R:Y430 R:R:Y80 2.98 2 Yes Yes 9 8 1 2
R:R:L100 R:R:Y104 7.03 0 No Yes 7 8 2 1
R:R:D103 R:R:Y430 12.64 2 Yes Yes 9 9 2 1
R:R:W155 R:R:Y104 5.79 2 Yes Yes 8 8 1 1
R:R:Y104 R:R:Y403 9.93 2 Yes Yes 8 8 1 1
R:R:Y104 R:R:Y426 9.93 2 Yes Yes 8 7 1 1
L:L:?1 R:R:Y104 12.54 2 Yes Yes 0 8 0 1
R:R:S107 R:R:W400 4.94 2 No Yes 8 9 1 1
L:L:?1 R:R:S107 11.78 2 Yes No 0 8 0 1
R:R:N108 R:R:V111 2.96 2 Yes No 9 9 1 2
R:R:N108 R:R:S151 8.94 2 Yes No 9 9 1 2
R:R:L154 R:R:N108 4.12 2 Yes Yes 8 9 2 1
R:R:N108 R:R:W155 7.91 2 Yes Yes 9 8 1 1
R:R:A194 R:R:N108 3.13 2 No Yes 8 9 1 1
L:L:?1 R:R:N108 6.86 2 Yes Yes 0 9 0 1
R:R:F396 R:R:V111 2.62 2 Yes No 9 9 2 2
R:R:L154 R:R:W155 5.69 2 Yes Yes 8 8 2 1
R:R:L154 R:R:T190 4.42 2 Yes No 8 9 2 2
R:R:T190 R:R:W155 10.92 2 No Yes 9 8 2 1
R:R:A194 R:R:W155 3.89 2 No Yes 8 8 1 1
L:L:?1 R:R:W155 7.31 2 Yes Yes 0 8 0 1
L:L:?1 R:R:A194 5.62 2 Yes No 0 8 0 1
R:R:F195 R:R:Y196 5.16 2 Yes Yes 9 8 1 2
R:R:F195 R:R:V199 3.93 2 Yes No 9 7 1 2
R:R:F195 R:R:F396 5.36 2 Yes Yes 9 9 1 2
R:R:F195 R:R:W400 3.01 2 Yes Yes 9 9 1 1
R:R:A401 R:R:F195 2.77 0 No Yes 7 9 2 1
R:R:F195 R:R:N404 15.71 2 Yes No 9 7 1 1
L:L:?1 R:R:F195 3.48 2 Yes Yes 0 9 0 1
R:R:F396 R:R:V199 3.93 2 Yes No 9 7 2 2
R:R:F396 R:R:W400 7.02 2 Yes Yes 9 9 2 1
R:R:T399 R:R:W400 4.85 2 No Yes 9 9 2 1
R:R:N432 R:R:T399 11.7 2 Yes No 9 9 2 2
R:R:W400 R:R:Y403 2.89 2 Yes Yes 9 8 1 1
R:R:N432 R:R:W400 10.17 2 Yes Yes 9 9 2 1
L:L:?1 R:R:W400 30.87 2 Yes Yes 0 9 0 1
R:R:N404 R:R:Y403 9.3 2 No Yes 7 8 1 1
R:R:Y403 R:R:Y426 2.98 2 Yes Yes 8 7 1 1
L:L:?1 R:R:Y403 15.89 2 Yes Yes 0 8 0 1
L:L:?1 R:R:N404 3.92 2 Yes No 0 7 0 1
R:R:Y426 R:R:Y430 10.92 2 Yes Yes 7 9 1 1
L:L:?1 R:R:Y426 13.38 2 Yes Yes 0 7 0 1
L:L:?1 R:R:C429 5.66 2 Yes No 0 8 0 1
L:L:?1 R:R:Y430 6.69 2 Yes Yes 0 9 0 1
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub8.00
Average Interaction Strength10.33
Average Nodes In Shell29.00
Average Hubs In Shell17.00
Average Links In Shell52.00
Average Links Mediated by Hubs In Shell52.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
7TRK A Amine Acetylcholine (muscarinic) M4 Homo sapiens Iperoxo - Gi1/Beta1/Gamma2 2.8 2023-05-17 10.2139/ssrn.4034884

A 2D representation of the interactions of IXO in 7TRK
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:I81 R:R:S85 6.19 0 Yes No 9 9 2 2
R:R:I81 R:R:S116 4.64 0 Yes No 9 8 2 1
R:R:D112 R:R:S85 10.31 2 Yes No 9 9 1 2
R:R:S85 R:R:Y443 6.36 2 No Yes 9 9 2 2
R:R:W108 R:R:Y89 5.79 2 Yes Yes 7 8 2 2
R:R:Y439 R:R:Y89 22.84 2 Yes Yes 7 8 1 2
R:R:Y443 R:R:Y89 4.96 2 Yes Yes 9 8 2 2
R:R:D112 R:R:W108 5.58 2 Yes Yes 9 7 1 2
R:R:D112 R:R:Y443 10.34 2 Yes Yes 9 9 1 2
L:L:?1 R:R:D112 3.87 2 Yes Yes 0 9 0 1
R:R:W164 R:R:Y113 14.47 2 Yes Yes 8 9 1 1
R:R:I168 R:R:Y113 3.63 2 Yes Yes 8 9 2 1
R:R:I187 R:R:Y113 4.84 2 Yes Yes 7 9 2 1
R:R:Y113 R:R:Y416 7.94 2 Yes Yes 9 9 1 1
R:R:Y113 R:R:Y439 6.95 2 Yes Yes 9 7 1 1
L:L:?1 R:R:Y113 10.87 2 Yes Yes 0 9 0 1
L:L:?1 R:R:S116 9.64 2 Yes No 0 8 0 1
R:R:M121 R:R:N117 4.21 0 No Yes 8 9 2 1
R:R:N117 R:R:S160 4.47 2 Yes No 9 9 1 2
R:R:N117 R:R:W164 9.04 2 Yes Yes 9 8 1 1
R:R:A203 R:R:N117 3.13 2 No Yes 9 9 1 1
L:L:?1 R:R:N117 10.77 2 Yes Yes 0 9 0 1
R:R:F409 R:R:V120 7.87 2 Yes No 9 9 2 1
R:R:V120 R:R:W413 6.13 2 No Yes 9 9 1 1
L:L:?1 R:R:V120 3.19 2 Yes No 0 9 0 1
R:R:L163 R:R:W164 5.69 0 No Yes 8 8 2 1
R:R:I168 R:R:W164 3.52 2 Yes Yes 8 8 2 1
R:R:T199 R:R:W164 8.49 0 No Yes 9 8 2 1
R:R:A203 R:R:W164 3.89 2 No Yes 9 8 1 1
L:L:?1 R:R:W164 10.56 2 Yes Yes 0 8 0 1
R:R:I168 R:R:I187 4.42 2 Yes Yes 8 7 2 2
L:L:?1 R:R:A203 5.62 2 Yes No 0 9 0 1
R:R:F204 R:R:Y205 11.35 2 Yes Yes 9 8 2 2
R:R:F204 R:R:F409 5.36 2 Yes Yes 9 9 2 2
R:R:F204 R:R:N417 18.12 2 Yes Yes 9 9 2 1
R:R:N417 R:R:Y205 3.49 2 Yes Yes 9 8 1 2
R:R:F409 R:R:W413 13.03 2 Yes Yes 9 9 2 1
R:R:T412 R:R:W413 3.64 2 No Yes 9 9 2 1
R:R:N445 R:R:T412 13.16 2 Yes No 9 9 2 2
R:R:C442 R:R:W413 7.84 2 No Yes 9 9 1 1
R:R:N445 R:R:W413 13.56 2 Yes Yes 9 9 2 1
L:L:?1 R:R:W413 16.25 2 Yes Yes 0 9 0 1
R:R:N417 R:R:Y416 6.98 2 Yes Yes 9 9 1 1
R:R:V420 R:R:Y416 7.57 0 No Yes 8 9 2 1
R:R:C442 R:R:Y416 4.03 2 No Yes 9 9 1 1
L:L:?1 R:R:Y416 7.53 2 Yes Yes 0 9 0 1
L:L:?1 R:R:N417 3.92 2 Yes Yes 0 9 0 1
R:R:W435 R:R:Y439 5.79 0 No Yes 6 7 2 1
R:R:Y439 R:R:Y443 7.94 2 Yes Yes 7 9 1 2
L:L:?1 R:R:Y439 7.53 2 Yes Yes 0 7 0 1
L:L:?1 R:R:C442 6.79 2 Yes No 0 9 0 1
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub8.00
Average Interaction Strength8.04
Average Nodes In Shell31.00
Average Hubs In Shell19.00
Average Links In Shell51.00
Average Links Mediated by Hubs In Shell51.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
7TRP A Amine Acetylcholine (muscarinic) M4 Homo sapiens Iperoxo LY2033298 Gi1/Beta1/Gamma2 2.4 2023-05-17 10.2139/ssrn.4034884

A 2D representation of the interactions of IXO in 7TRP
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:I81 R:R:S85 6.19 0 Yes No 9 9 2 2
R:R:I81 R:R:S116 3.1 0 Yes Yes 9 8 2 1
R:R:D112 R:R:S85 11.78 1 Yes No 9 9 1 2
R:R:S85 R:R:Y443 3.82 1 No Yes 9 9 2 2
R:R:W108 R:R:Y89 3.86 1 Yes Yes 7 8 2 2
R:R:Y439 R:R:Y89 22.84 1 Yes Yes 7 8 1 2
R:R:Y443 R:R:Y89 5.96 1 Yes Yes 9 8 2 2
R:R:Y89 W:W:?1 7.84 1 Yes Yes 8 0 2 2
R:R:D112 R:R:W108 4.47 1 Yes Yes 9 7 1 2
R:R:D112 R:R:S116 4.42 1 Yes Yes 9 8 1 1
R:R:D112 R:R:Y443 8.05 1 Yes Yes 9 9 1 2
L:L:?1 R:R:D112 8.71 1 Yes Yes 0 9 0 1
R:R:W164 R:R:Y113 14.47 1 Yes Yes 8 9 1 1
R:R:I187 R:R:Y113 8.46 1 Yes Yes 7 9 2 1
R:R:Y113 R:R:Y416 10.92 1 Yes Yes 9 9 1 1
R:R:Y113 R:R:Y439 3.97 1 Yes Yes 9 7 1 1
L:L:?1 R:R:Y113 15.05 1 Yes Yes 0 9 0 1
R:R:S116 R:R:W413 3.71 1 Yes Yes 8 9 1 1
L:L:?1 R:R:S116 11.78 1 Yes Yes 0 8 0 1
R:R:M121 R:R:N117 5.61 0 No Yes 8 9 2 1
R:R:N117 R:R:S160 4.47 1 Yes No 9 9 1 2
R:R:L163 R:R:N117 4.12 1 No Yes 8 9 2 1
R:R:N117 R:R:W164 9.04 1 Yes Yes 9 8 1 1
R:R:A203 R:R:N117 3.13 1 No Yes 9 9 1 1
L:L:?1 R:R:N117 8.81 1 Yes Yes 0 9 0 1
R:R:F409 R:R:V120 5.24 1 Yes No 9 9 2 2
R:R:V120 R:R:W413 3.68 1 No Yes 9 9 2 1
R:R:L163 R:R:W164 10.25 1 No Yes 8 8 2 1
R:R:F189 R:R:W164 3.01 1 Yes Yes 8 8 2 1
R:R:T199 R:R:W164 7.28 0 No Yes 9 8 2 1
R:R:A203 R:R:W164 3.89 1 No Yes 9 8 1 1
L:L:?1 R:R:W164 8.12 1 Yes Yes 0 8 0 1
R:R:F189 R:R:I187 7.54 1 Yes Yes 8 7 2 2
L:L:?1 R:R:A203 4.5 1 Yes No 0 9 0 1
R:R:F204 R:R:Y205 10.32 1 Yes Yes 9 8 2 2
R:R:F204 R:R:F409 5.36 1 Yes Yes 9 9 2 2
R:R:F204 R:R:W413 3.01 1 Yes Yes 9 9 2 1
R:R:F204 R:R:N417 16.92 1 Yes Yes 9 9 2 1
R:R:N417 R:R:Y205 4.65 1 Yes Yes 9 8 1 2
R:R:F409 R:R:W413 8.02 1 Yes Yes 9 9 2 1
R:R:T412 R:R:W413 4.85 1 No Yes 9 9 2 1
R:R:N445 R:R:T412 14.62 1 No No 9 9 2 2
R:R:C442 R:R:W413 6.53 1 No Yes 9 9 1 1
R:R:N445 R:R:W413 14.69 1 No Yes 9 9 2 1
L:L:?1 R:R:W413 12.19 1 Yes Yes 0 9 0 1
R:R:N417 R:R:Y416 3.49 1 Yes Yes 9 9 1 1
R:R:V420 R:R:Y416 8.83 0 No Yes 8 9 2 1
R:R:W435 R:R:Y416 4.82 1 Yes Yes 6 9 2 1
R:R:C442 R:R:Y416 4.03 1 No Yes 9 9 1 1
L:L:?1 R:R:Y416 7.53 1 Yes Yes 0 9 0 1
L:L:?1 R:R:N417 5.88 1 Yes Yes 0 9 0 1
R:R:W435 W:W:?1 33.83 1 Yes Yes 6 0 2 2
R:R:Y439 R:R:Y443 4.96 1 Yes Yes 7 9 1 2
R:R:Y439 W:W:?1 4.35 1 Yes Yes 7 0 1 2
L:L:?1 R:R:Y439 3.34 1 Yes Yes 0 7 0 1
L:L:?1 R:R:C442 9.06 1 Yes No 0 9 0 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub9.00
Average Interaction Strength8.63
Average Nodes In Shell32.00
Average Hubs In Shell21.00
Average Links In Shell56.00
Average Links Mediated by Hubs In Shell55.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
7TRQ A Amine Acetylcholine (muscarinic) M4 Homo sapiens Iperoxo VU0467154 Gi1/Beta1/Gamma2 2.5 2023-05-17 10.2139/ssrn.4034884

A 2D representation of the interactions of IXO in 7TRQ
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:I81 R:R:S85 4.64 0 Yes No 9 9 2 2
R:R:I81 R:R:S116 3.1 0 Yes Yes 9 8 2 1
R:R:D112 R:R:S85 11.78 1 Yes No 9 9 1 2
R:R:S85 R:R:Y443 3.82 1 No Yes 9 9 2 1
R:R:M86 R:R:W440 4.65 1 Yes Yes 9 9 2 2
R:R:M86 R:R:Y443 7.18 1 Yes Yes 9 9 2 1
R:R:W108 R:R:Y89 3.86 1 Yes Yes 7 8 2 2
R:R:Y439 R:R:Y89 11.91 1 Yes Yes 7 8 1 2
R:R:W440 R:R:Y89 8.68 1 Yes Yes 9 8 2 2
R:R:Y443 R:R:Y89 4.96 1 Yes Yes 9 8 1 2
R:R:Y89 W:W:?1 4.73 1 Yes Yes 8 0 2 2
R:R:D112 R:R:W108 4.47 1 Yes Yes 9 7 1 2
R:R:D112 R:R:S116 4.42 1 Yes Yes 9 8 1 1
R:R:D112 R:R:Y443 10.34 1 Yes Yes 9 9 1 1
L:L:?1 R:R:D112 9.68 1 Yes Yes 0 9 0 1
R:R:W164 R:R:Y113 14.47 1 Yes Yes 8 9 1 1
R:R:I168 R:R:Y113 4.84 1 Yes Yes 8 9 2 1
R:R:I187 R:R:Y113 12.09 1 No Yes 7 9 2 1
R:R:Y113 R:R:Y416 7.94 1 Yes Yes 9 9 1 1
R:R:Y113 R:R:Y439 5.96 1 Yes Yes 9 7 1 1
L:L:?1 R:R:Y113 10.87 1 Yes Yes 0 9 0 1
R:R:S116 R:R:W413 4.94 1 Yes Yes 8 9 1 1
L:L:?1 R:R:S116 8.57 1 Yes Yes 0 8 0 1
R:R:M121 R:R:N117 5.61 0 No Yes 8 9 2 1
R:R:N117 R:R:S160 4.47 1 Yes No 9 9 1 2
R:R:L163 R:R:N117 4.12 1 No Yes 8 9 2 1
R:R:N117 R:R:W164 9.04 1 Yes Yes 9 8 1 1
R:R:A203 R:R:N117 3.13 1 No Yes 9 9 1 1
L:L:?1 R:R:N117 6.86 1 Yes Yes 0 9 0 1
R:R:F409 R:R:V120 6.55 1 Yes Yes 9 9 2 1
R:R:V120 R:R:W413 6.13 1 Yes Yes 9 9 1 1
L:L:?1 R:R:V120 5.31 1 Yes Yes 0 9 0 1
R:R:L163 R:R:W164 5.69 1 No Yes 8 8 2 1
R:R:I168 R:R:W164 3.52 1 Yes Yes 8 8 2 1
R:R:T199 R:R:W164 8.49 0 No Yes 9 8 2 1
R:R:A203 R:R:W164 3.89 1 No Yes 9 8 1 1
L:L:?1 R:R:W164 4.87 1 Yes Yes 0 8 0 1
R:R:I168 R:R:I187 5.89 1 Yes No 8 7 2 2
L:L:?1 R:R:A203 6.74 1 Yes No 0 9 0 1
R:R:F204 R:R:Y205 11.35 1 Yes Yes 9 8 2 2
R:R:F204 R:R:F409 5.36 1 Yes Yes 9 9 2 2
R:R:F204 R:R:N417 18.12 1 Yes Yes 9 9 2 1
R:R:N417 R:R:Y205 4.65 1 Yes Yes 9 8 1 2
R:R:F409 R:R:W413 8.02 1 Yes Yes 9 9 2 1
R:R:T412 R:R:W413 4.85 1 Yes Yes 9 9 2 1
R:R:N445 R:R:T412 13.16 1 No Yes 9 9 2 2
R:R:C442 R:R:W413 9.14 1 No Yes 9 9 1 1
R:R:N445 R:R:W413 10.17 1 No Yes 9 9 2 1
L:L:?1 R:R:W413 19.5 1 Yes Yes 0 9 0 1
R:R:N417 R:R:Y416 4.65 1 Yes Yes 9 9 1 1
R:R:V420 R:R:Y416 6.31 0 No Yes 8 9 2 1
R:R:W435 R:R:Y416 3.86 1 Yes Yes 6 9 2 1
R:R:Y416 R:R:Y439 6.95 1 Yes Yes 9 7 1 1
R:R:C442 R:R:Y416 4.03 1 No Yes 9 9 1 1
L:L:?1 R:R:Y416 7.53 1 Yes Yes 0 9 0 1
L:L:?1 R:R:N417 6.86 1 Yes Yes 0 9 0 1
R:R:W435 W:W:?1 29.85 1 Yes Yes 6 0 2 2
L:L:?1 R:R:Y439 10.87 1 Yes Yes 0 7 0 1
R:R:Y439 W:W:?1 6.3 1 Yes Yes 7 0 1 2
R:R:W440 R:R:Y443 6.75 1 Yes Yes 9 9 2 1
L:L:?1 R:R:C442 5.66 1 Yes No 0 9 0 1
L:L:?1 R:R:Y443 4.18 1 Yes Yes 0 9 0 1
R:R:P207 R:R:V120 1.77 0 No Yes 9 9 2 1
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub11.00
Average Interaction Strength8.27
Average Nodes In Shell35.00
Average Hubs In Shell24.00
Average Links In Shell63.00
Average Links Mediated by Hubs In Shell63.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
7V68 A Amine Acetylcholine (muscarinic) M4 Homo sapiens Iperoxo PubChem 57664406 Gi1/Beta1/Gamma2 3.4 2022-05-11 10.1038/s41467-022-30595-y

A 2D representation of the interactions of IXO in 7V68
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:I81 R:R:S85 4.64 21 Yes No 9 9 2 2
R:R:D112 R:R:I81 5.6 21 Yes Yes 9 9 1 2
R:R:I81 R:R:S116 4.64 21 Yes No 9 8 2 1
R:R:I81 R:R:Y443 4.84 21 Yes Yes 9 9 2 2
R:R:D112 R:R:S85 10.31 21 Yes No 9 9 1 2
R:R:S85 R:R:Y443 10.17 21 No Yes 9 9 2 2
R:R:D112 R:R:Y443 11.49 21 Yes Yes 9 9 1 2
L:L:?1 R:R:D112 3.87 0 Yes Yes 0 9 0 1
R:R:W164 R:R:Y113 29.9 0 Yes No 8 9 2 1
R:R:I168 R:R:Y113 6.04 4 Yes No 8 9 2 1
L:L:?1 R:R:Y113 15.89 0 Yes No 0 9 0 1
L:L:?1 R:R:S116 6.43 0 Yes No 0 8 0 1
R:R:N117 R:R:S160 5.96 0 No No 9 9 1 2
R:R:N117 R:R:W164 9.04 0 No Yes 9 8 1 2
L:L:?1 R:R:N117 5.88 0 Yes No 0 9 0 1
R:R:F204 R:R:Y205 9.28 17 Yes Yes 9 8 1 2
R:R:F204 R:R:V208 7.87 17 Yes No 9 8 1 2
R:R:F204 R:R:F409 4.29 17 Yes Yes 9 9 1 2
R:R:F204 R:R:T414 5.19 17 Yes No 9 7 1 2
R:R:F204 R:R:N417 13.29 17 Yes Yes 9 9 1 2
L:L:?1 R:R:F204 6.08 0 Yes Yes 0 9 0 1
R:R:N417 R:R:Y205 6.98 17 Yes Yes 9 8 2 2
R:R:F409 R:R:V208 3.93 17 Yes No 9 8 2 2
R:R:F409 R:R:W413 9.02 17 Yes Yes 9 9 2 1
R:R:C442 R:R:W413 10.45 0 No Yes 9 9 2 1
R:R:N445 R:R:W413 18.08 0 No Yes 9 9 2 1
L:L:?1 R:R:W413 7.31 0 Yes Yes 0 9 0 1
R:R:Y416 R:R:Y439 6.95 0 No No 9 7 1 2
R:R:C442 R:R:Y416 4.03 0 No No 9 9 2 1
L:L:?1 R:R:Y416 10.87 0 Yes No 0 9 0 1
L:L:?1 R:R:V120 3.19 0 Yes No 0 9 0 1
StatisticsValue
Average Number Of Links8.00
Average Number Of Links With An Hub3.00
Average Interaction Strength7.44
Average Nodes In Shell23.00
Average Hubs In Shell11.00
Average Links In Shell31.00
Average Links Mediated by Hubs In Shell28.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8E9Z A Amine Acetylcholine (muscarinic) M3 Homo sapiens Iperoxo - chim(NtGi2L-Gs-CtGq)/Beta1/Gamma2 2.69  2022-11-30 10.1038/s41586-022-05489-0

A 2D representation of the interactions of IXO in 8E9Z
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:I117 R:R:S121 7.74 1 Yes No 9 9 2 2
R:R:I117 R:R:Y534 4.84 1 Yes Yes 9 9 2 1
R:R:D148 R:R:S121 10.31 1 No No 9 9 1 2
R:R:S121 R:R:Y534 5.09 1 No Yes 9 9 2 1
R:R:M122 R:R:Y534 8.38 1 Yes Yes 9 9 2 1
R:R:F125 R:R:Y530 11.35 1 Yes Yes 8 7 2 1
R:R:F125 R:R:W531 4.01 1 Yes Yes 8 8 2 2
R:R:F125 R:R:Y534 4.13 1 Yes Yes 8 9 2 1
R:R:D148 R:R:Y534 10.34 1 No Yes 9 9 1 1
L:L:?1 R:R:D148 6.78 1 Yes No 0 9 0 1
R:R:W200 R:R:Y149 20.26 1 Yes Yes 9 9 2 1
R:R:I223 R:R:Y149 8.46 1 Yes Yes 8 9 2 1
R:R:Y149 R:R:Y507 3.97 1 Yes Yes 9 9 1 1
R:R:Y149 R:R:Y530 3.97 1 Yes Yes 9 7 1 1
L:L:?1 R:R:Y149 6.69 1 Yes Yes 0 9 0 1
L:L:?1 R:R:S152 7.5 1 Yes No 0 9 0 1
R:R:P243 R:R:V156 3.53 0 No Yes 9 9 2 1
R:R:F500 R:R:V156 7.87 1 Yes Yes 9 9 2 1
R:R:V156 R:R:W504 4.9 1 Yes Yes 9 9 1 1
L:L:?1 R:R:V156 4.25 1 Yes Yes 0 9 0 1
R:R:I223 R:R:W200 5.87 1 Yes Yes 8 9 2 2
L:L:?1 R:R:A239 5.62 1 Yes No 0 9 0 1
R:R:F240 R:R:Y241 6.19 1 Yes Yes 9 8 1 2
R:R:F240 R:R:V244 3.93 1 Yes No 9 8 1 2
R:R:F240 R:R:F500 4.29 1 Yes Yes 9 9 1 2
R:R:F240 R:R:W504 5.01 1 Yes Yes 9 9 1 1
R:R:F240 R:R:T505 3.89 1 Yes No 9 8 1 2
R:R:F240 R:R:N508 16.92 1 Yes Yes 9 9 1 1
L:L:?1 R:R:F240 5.21 1 Yes Yes 0 9 0 1
R:R:N508 R:R:Y241 6.98 1 Yes Yes 9 8 1 2
R:R:F500 R:R:V244 3.93 1 Yes No 9 8 2 2
R:R:F500 R:R:W504 5.01 1 Yes Yes 9 9 2 1
R:R:F500 R:R:N536 3.62 1 Yes Yes 9 9 2 2
R:R:T503 R:R:W504 4.85 1 No Yes 9 9 2 1
R:R:N536 R:R:T503 4.39 1 Yes No 9 9 2 2
R:R:C533 R:R:W504 10.45 1 No Yes 9 9 1 1
R:R:N536 R:R:W504 9.04 1 Yes Yes 9 9 2 1
L:L:?1 R:R:W504 18.69 1 Yes Yes 0 9 0 1
R:R:N508 R:R:Y507 4.65 1 Yes Yes 9 9 1 1
R:R:V511 R:R:Y507 3.79 0 No Yes 8 9 2 1
L:L:?1 R:R:Y507 7.53 1 Yes Yes 0 9 0 1
L:L:?1 R:R:N508 4.9 1 Yes Yes 0 9 0 1
R:R:Y530 R:R:Y534 6.95 1 Yes Yes 7 9 1 1
L:L:?1 R:R:Y530 14.22 1 Yes Yes 0 7 0 1
R:R:W531 R:R:Y534 4.82 1 Yes Yes 8 9 2 1
L:L:?1 R:R:C533 10.19 1 Yes No 0 9 0 1
L:L:?1 R:R:Y534 5.02 1 Yes Yes 0 9 0 1
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub8.00
Average Interaction Strength8.05
Average Nodes In Shell28.00
Average Hubs In Shell18.00
Average Links In Shell47.00
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 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8EA0 A Amine Acetylcholine (muscarinic) M3 Homo sapiens Iperoxo - - 2.56  2022-11-30 10.1038/s41586-022-05489-0

A 2D representation of the interactions of IXO in 8EA0
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:I117 R:R:S121 7.74 1 Yes No 9 9 2 2
R:R:I117 R:R:S152 4.64 1 Yes No 9 9 2 1
R:R:I117 R:R:Y534 4.84 1 Yes Yes 9 9 2 2
R:R:D148 R:R:S121 11.78 1 Yes No 9 9 1 2
R:R:S121 R:R:Y534 5.09 1 No Yes 9 9 2 2
R:R:F125 R:R:W144 5.01 1 Yes Yes 8 8 2 2
R:R:F125 R:R:Y530 11.35 1 Yes Yes 8 7 2 1
R:R:F125 R:R:Y534 5.16 1 Yes Yes 8 9 2 2
R:R:W144 R:R:Y530 3.86 1 Yes Yes 8 7 2 1
R:R:D148 R:R:Y530 3.45 1 Yes Yes 9 7 1 1
R:R:D148 R:R:Y534 11.49 1 Yes Yes 9 9 1 2
L:L:?1 R:R:D148 4.84 1 Yes Yes 0 9 0 1
R:R:W200 R:R:Y149 15.43 1 Yes Yes 9 9 1 1
R:R:I204 R:R:Y149 4.84 1 No Yes 8 9 2 1
R:R:I223 R:R:Y149 13.3 1 Yes Yes 8 9 2 1
R:R:Y149 R:R:Y507 5.96 1 Yes Yes 9 9 1 1
R:R:Y149 R:R:Y530 5.96 1 Yes Yes 9 7 1 1
L:L:?1 R:R:Y149 13.38 1 Yes Yes 0 9 0 1
R:R:S152 R:R:W504 3.71 1 No Yes 9 9 1 1
L:L:?1 R:R:S152 10.71 1 Yes No 0 9 0 1
R:R:L199 R:R:N153 4.12 1 No No 8 9 2 2
R:R:N153 R:R:W200 9.04 1 No Yes 9 9 2 1
R:R:P243 R:R:V156 3.53 0 No Yes 9 9 2 1
R:R:F500 R:R:V156 7.87 1 No Yes 9 9 2 1
R:R:V156 R:R:W504 4.9 1 Yes Yes 9 9 1 1
L:L:?1 R:R:V156 4.25 1 Yes Yes 0 9 0 1
R:R:L199 R:R:W200 7.97 1 No Yes 8 9 2 1
R:R:I204 R:R:W200 4.7 1 No Yes 8 9 2 1
R:R:T235 R:R:W200 8.49 0 No Yes 9 9 2 1
L:L:?1 R:R:W200 6.5 1 Yes Yes 0 9 0 1
R:R:I204 R:R:I223 4.42 1 No Yes 8 8 2 2
L:L:?1 R:R:A239 6.74 1 Yes No 0 9 0 1
R:R:F240 R:R:Y241 9.28 1 Yes Yes 9 8 1 2
R:R:F240 R:R:V244 7.87 1 Yes No 9 8 1 2
R:R:F240 R:R:T505 3.89 1 Yes Yes 9 8 1 2
R:R:F240 R:R:N508 21.75 1 Yes No 9 9 1 1
L:L:?1 R:R:F240 3.48 1 Yes Yes 0 9 0 1
R:R:F500 R:R:W504 11.02 1 No Yes 9 9 2 1
R:R:F500 R:R:N536 4.83 1 No Yes 9 9 2 2
R:R:T503 R:R:W504 3.64 1 No Yes 9 9 2 1
R:R:N536 R:R:T503 5.85 1 Yes No 9 9 2 2
R:R:C533 R:R:W504 11.75 1 No Yes 9 9 1 1
R:R:N536 R:R:W504 9.04 1 Yes Yes 9 9 2 1
L:L:?1 R:R:W504 21.12 1 Yes Yes 0 9 0 1
R:R:W526 R:R:Y507 3.86 0 Yes Yes 6 9 2 1
R:R:C533 R:R:Y507 4.03 1 No Yes 9 9 1 1
L:L:?1 R:R:Y507 8.36 1 Yes Yes 0 9 0 1
L:L:?1 R:R:N508 6.86 1 Yes No 0 9 0 1
R:R:Y530 R:R:Y534 7.94 1 Yes Yes 7 9 1 2
L:L:?1 R:R:Y530 11.71 1 Yes Yes 0 7 0 1
L:L:?1 R:R:C533 6.79 1 Yes No 0 9 0 1
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub8.00
Average Interaction Strength8.73
Average Nodes In Shell31.00
Average Hubs In Shell18.00
Average Links In Shell51.00
Average Links Mediated by Hubs In Shell50.00
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 Links11.40
Average Number Of Links With An Hub7.70
Average Interaction Strength8.78
Average Nodes In Shell30.80
Average Hubs In Shell18.20
Average Links In Shell51.10
Average Links Mediated by Hubs In Shell50.00

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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 🔍)