CodeJ40
Name[(2R)-1-[oxidanyl-[(2R,3R,5S,6R)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] (5E,8E)-hexadeca-5,8,11,14-tetraenoate
Synonyms
Identifier
FormulaC39 H68 O16 P2
Molecular Weight854.895
SMILES
PubChem
Formal Charge0
Total Atoms125
Total Chiral Atoms5
Total Bonds125
Total Aromatic Bonds0
Networks32
 missing image

This ligand is also present in the following 32 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
7E2X A Amine 5-Hydroxytryptamine 5-HT1A Homo Sapiens - PtdIns4P Gi1/Beta1/Gamma2 3 2021-04-14 doi.org/10.1038/s41586-021-03376-8

A 2D representation of the interactions of J40 in 7E2X
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
A:A:C351 A:A:L353 6.35 0 No Yes 4 7 2 2
A:A:C351 R:R:R134 6.96 0 No No 4 9 2 1
A:A:G352 W:W:?1 3.43 0 No Yes 8 0 1 0
A:A:L353 R:R:T346 2.95 0 Yes Yes 7 8 2 1
R:R:G53 R:R:Y402 2.9 6 No Yes 9 6 1 1
R:R:G53 W:W:?1 3.43 6 No Yes 9 0 1 0
R:R:C56 R:R:Y402 2.69 6 No Yes 8 6 2 1
R:R:C56 R:R:F411 2.79 6 No Yes 8 8 2 2
R:R:V57 R:R:Y402 5.05 6 Yes Yes 9 6 2 1
R:R:F407 R:R:V57 6.55 6 Yes Yes 8 9 2 2
R:R:I130 R:R:R134 3.76 0 Yes No 9 9 2 1
R:R:R134 W:W:?1 6.51 0 No Yes 9 0 1 0
R:R:I349 R:R:K345 4.36 6 No No 7 7 1 1
R:R:K345 W:W:?1 7.55 6 No Yes 7 0 1 0
R:R:I350 R:R:T346 3.04 0 No Yes 8 8 2 1
R:R:T346 W:W:?1 9.87 0 Yes Yes 8 0 1 0
R:R:I349 R:R:I399 2.94 6 No Yes 7 8 1 2
R:R:I349 W:W:?1 3.82 6 No Yes 7 0 1 0
R:R:F403 R:R:V398 2.62 6 No No 8 6 1 1
R:R:V398 W:W:?1 5.98 6 No Yes 6 0 1 0
R:R:F403 R:R:I399 7.54 6 No Yes 8 8 1 2
R:R:F407 R:R:Y402 4.13 6 Yes Yes 8 6 2 1
R:R:F411 R:R:Y402 11.35 6 Yes Yes 8 6 2 1
R:R:Y402 W:W:?1 3.92 6 Yes Yes 6 0 1 0
R:R:F403 W:W:?1 13.05 6 No Yes 8 0 1 0
R:R:K405 R:R:Q408 5.42 0 No No 6 9 1 2
R:R:K405 W:W:?1 6.61 0 No Yes 6 0 1 0
R:R:F407 R:R:F411 8.57 6 Yes Yes 8 8 2 2
R:R:C49 W:W:?1 2.12 0 No Yes 5 0 1 0
R:R:G53 R:R:L52 1.71 6 No No 9 4 1 2
R:R:K342 R:R:T346 1.5 0 No Yes 8 8 2 1
R:R:K405 R:R:N409 1.4 0 No No 6 6 1 2
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub2.00
Average Interaction Strength6.03
Average Nodes In Shell25.00
Average Hubs In Shell9.00
Average Links In Shell32.00
Average Links Mediated by Hubs In Shell26.00
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
7E2Y A Amine 5-Hydroxytryptamine 5-HT1A Homo Sapiens Serotonin PtdIns4P Gi1/Beta1/Gamma2 3 2021-04-14 doi.org/10.1038/s41586-021-03376-8

A 2D representation of the interactions of J40 in 7E2Y
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
A:A:C351 A:A:L353 6.35 0 No Yes 4 7 2 2
A:A:C351 R:R:R134 5.57 0 No Yes 4 9 2 1
A:A:L353 R:R:T346 2.95 1 Yes Yes 7 8 2 1
R:R:V57 R:R:Y402 3.79 7 Yes Yes 9 6 2 1
R:R:F407 R:R:V57 6.55 7 Yes Yes 8 9 2 2
R:R:I130 R:R:R134 6.26 1 No Yes 9 9 2 1
R:R:I130 R:R:Y400 6.04 1 No Yes 9 9 2 2
R:R:R134 R:R:Y400 6.17 1 Yes Yes 9 9 1 2
R:R:R134 W:W:?1 9.76 1 Yes Yes 9 0 1 0
R:R:I350 R:R:Y215 3.63 1 No Yes 8 9 1 2
R:R:K342 R:R:T346 4.5 1 No Yes 8 8 1 1
R:R:K342 W:W:?1 5.66 1 No Yes 8 0 1 0
R:R:I349 R:R:K345 5.82 1 No No 7 7 1 1
R:R:K345 W:W:?1 11.33 1 No Yes 7 0 1 0
R:R:I350 R:R:T346 3.04 1 No Yes 8 8 1 1
R:R:T346 W:W:?1 9.87 1 Yes Yes 8 0 1 0
R:R:I349 W:W:?1 4.78 1 No Yes 7 0 1 0
R:R:I350 W:W:?1 4.78 1 No Yes 8 0 1 0
R:R:P397 R:R:Y402 2.78 0 No Yes 9 6 2 1
R:R:F403 R:R:V398 5.24 0 No No 8 6 1 2
R:R:F411 R:R:Y402 9.28 7 Yes Yes 8 6 2 1
R:R:Y402 W:W:?1 8.63 0 Yes Yes 6 0 1 0
R:R:F403 W:W:?1 26.91 0 No Yes 8 0 1 0
R:R:D406 R:R:N404 10.77 0 No No 7 9 2 1
R:R:F407 R:R:N404 4.83 7 Yes No 8 9 2 1
R:R:N404 W:W:?1 2.76 0 No Yes 9 0 1 0
R:R:K405 R:R:Q408 2.71 0 No No 6 9 1 2
R:R:K405 W:W:?1 3.78 0 No Yes 6 0 1 0
R:R:F407 R:R:F411 8.57 7 Yes Yes 8 8 2 2
A:A:G352 W:W:?1 2.29 0 No Yes 8 0 1 0
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub3.00
Average Interaction Strength8.23
Average Nodes In Shell24.00
Average Hubs In Shell10.00
Average Links In Shell30.00
Average Links Mediated by Hubs In Shell26.00
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
7E2Z A Amine 5-Hydroxytryptamine 5-HT1A Homo Sapiens Aripiprazole PtdIns4P Gi1/Beta1/Gamma2 3.1 2021-04-14 doi.org/10.1038/s41586-021-03376-8

A 2D representation of the interactions of J40 in 7E2Z
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
A:A:C351 R:R:R134 5.57 0 No Yes 4 9 2 1
A:A:G352 W:W:?1 4.58 0 No Yes 8 0 1 0
R:R:G53 W:W:?1 3.43 0 No Yes 9 0 1 0
R:R:V57 R:R:Y402 5.05 8 Yes Yes 9 6 2 1
R:R:I130 R:R:R134 5.01 0 No Yes 9 9 2 1
R:R:R134 R:R:Y215 4.12 0 Yes Yes 9 9 1 2
R:R:R134 R:R:Y400 5.14 0 Yes No 9 9 1 2
R:R:R134 W:W:?1 4.88 0 Yes Yes 9 0 1 0
R:R:I350 R:R:Y215 4.84 0 No Yes 8 9 2 2
R:R:K342 W:W:?1 4.72 0 No Yes 8 0 1 0
R:R:K345 W:W:?1 5.66 0 No Yes 7 0 1 0
R:R:I350 R:R:T346 3.04 0 No No 8 8 2 1
R:R:T346 W:W:?1 5.92 0 No Yes 8 0 1 0
R:R:V398 R:R:Y402 3.79 8 No Yes 6 6 1 1
R:R:V398 W:W:?1 2.99 8 No Yes 6 0 1 0
R:R:F403 R:R:I399 3.77 0 No No 8 8 1 2
R:R:F411 R:R:Y402 5.16 8 Yes Yes 8 6 2 1
R:R:Y402 W:W:?1 11.77 8 Yes Yes 6 0 1 0
R:R:F403 W:W:?1 19.57 0 No Yes 8 0 1 0
R:R:D406 R:R:N404 4.04 0 No No 7 9 2 1
R:R:N404 W:W:?1 5.52 0 No Yes 9 0 1 0
R:R:K405 W:W:?1 3.78 0 No Yes 6 0 1 0
R:R:K405 R:R:Q408 2.71 0 No No 6 9 1 2
R:R:G53 R:R:L52 1.71 0 No No 9 4 1 2
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub2.00
Average Interaction Strength6.62
Average Nodes In Shell23.00
Average Hubs In Shell6.00
Average Links In Shell24.00
Average Links Mediated by Hubs In Shell19.00
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
8FY8 A Amine 5-Hydroxytryptamine 5-HT1A Homo Sapiens 5-MeO-DMT PtdIns4P Gi1/Beta1/Gamma1 2.79 2024-05-15 doi.org/10.1038/s41586-024-07403-2

A 2D representation of the interactions of J40 in 8FY8
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
A:A:C351 A:A:L353 3.17 0 No Yes 4 8 2 2
A:A:C351 R:R:R134 8.36 0 No Yes 4 9 2 1
A:A:G352 W:W:?1 4.58 0 No Yes 4 0 1 0
A:A:L353 R:R:T346 5.9 2 Yes No 8 8 2 1
R:R:C56 R:R:L52 3.17 0 No No 8 4 2 1
R:R:L52 W:W:?1 3.71 0 No Yes 4 0 1 0
R:R:G53 R:R:Y402 4.35 2 No Yes 9 6 1 1
R:R:G53 W:W:?1 3.43 2 No Yes 9 0 1 0
R:R:V57 R:R:Y402 5.05 0 No Yes 9 6 2 1
R:R:I130 R:R:R134 5.01 2 No Yes 9 9 2 1
R:R:I130 R:R:Y400 6.04 2 No Yes 9 9 2 2
R:R:R134 R:R:Y215 7.2 2 Yes Yes 9 9 1 2
R:R:R134 R:R:Y400 7.2 2 Yes Yes 9 9 1 2
R:R:R134 W:W:?1 7.32 2 Yes Yes 9 0 1 0
R:R:Y215 R:R:Y400 2.98 2 Yes Yes 9 9 2 2
R:R:K342 W:W:?1 3.78 0 No Yes 8 0 1 0
R:R:I349 R:R:K345 5.82 2 No No 7 7 1 1
R:R:K345 W:W:?1 11.33 2 No Yes 7 0 1 0
R:R:T346 W:W:?1 12.83 0 No Yes 8 0 1 0
R:R:I349 R:R:I399 4.42 2 No No 7 8 1 2
R:R:I349 W:W:?1 3.82 2 No Yes 7 0 1 0
R:R:V398 W:W:?1 3.99 0 No Yes 6 0 1 0
R:R:I399 R:R:Y400 3.63 0 No Yes 8 9 2 2
R:R:F411 R:R:Y402 9.28 0 No Yes 8 6 2 1
R:R:Y402 W:W:?1 8.63 2 Yes Yes 6 0 1 0
R:R:F403 W:W:?1 24.46 0 No Yes 8 0 1 0
R:R:K405 R:R:Q408 9.49 0 No No 6 9 2 1
R:R:Q408 W:W:?1 1.78 0 No Yes 9 0 1 0
R:R:K412 R:R:Q408 1.36 0 No No 6 9 2 1
R:R:F48 R:R:L52 1.22 0 No No 4 4 2 1
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub2.00
Average Interaction Strength7.47
Average Nodes In Shell25.00
Average Hubs In Shell6.00
Average Links In Shell30.00
Average Links Mediated by Hubs In Shell24.00
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
8FYE A Amine 5-Hydroxytryptamine 5-HT1A Homo Sapiens 4-F,5-MeO-PyrT PtdIns4P Gi1/Beta1/Gamma1 2.85 2024-05-15 doi.org/10.1038/s41586-024-07403-2

A 2D representation of the interactions of J40 in 8FYE
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
A:A:C351 R:R:R134 6.96 0 No Yes 4 9 2 1
A:A:G352 R:R:K342 3.49 0 No No 4 8 1 2
A:A:G352 W:W:?1 5.72 0 No Yes 4 0 1 0
R:R:G53 R:R:L52 3.42 1 No No 9 4 1 2
R:R:G53 R:R:Y402 4.35 1 No Yes 9 6 1 1
R:R:G53 W:W:?1 3.43 1 No Yes 9 0 1 0
R:R:V57 R:R:Y402 5.05 0 No Yes 9 6 2 1
R:R:I130 R:R:R134 5.01 1 No Yes 9 9 2 1
R:R:I130 R:R:Y400 4.84 1 No Yes 9 9 2 2
R:R:R134 R:R:Y215 8.23 1 Yes Yes 9 9 1 2
R:R:R134 R:R:Y400 6.17 1 Yes Yes 9 9 1 2
R:R:R134 W:W:?1 4.88 1 Yes Yes 9 0 1 0
R:R:I350 R:R:Y215 7.25 0 No Yes 8 9 2 2
R:R:K345 W:W:?1 13.22 0 No Yes 7 0 1 0
R:R:I350 R:R:T346 3.04 0 No No 8 8 2 1
R:R:T346 W:W:?1 8.88 0 No Yes 8 0 1 0
R:R:I349 W:W:?1 5.73 0 No Yes 7 0 1 0
R:R:P397 R:R:Y402 4.17 0 No Yes 9 6 2 1
R:R:V398 W:W:?1 3.99 0 No Yes 6 0 1 0
R:R:F411 R:R:Y402 10.32 0 No Yes 8 6 2 1
R:R:Y402 W:W:?1 6.28 1 Yes Yes 6 0 1 0
R:R:F403 W:W:?1 26.09 0 No Yes 8 0 1 0
R:R:D406 R:R:N404 10.77 1 Yes No 7 9 2 1
R:R:F407 R:R:N404 13.29 1 Yes No 8 9 2 1
R:R:N404 W:W:?1 4.6 1 No Yes 9 0 1 0
R:R:K405 R:R:Q408 9.49 0 No No 6 9 2 1
R:R:D406 R:R:F407 5.97 1 Yes Yes 7 8 2 2
R:R:F407 R:R:F411 4.29 1 Yes No 8 8 2 2
R:R:Q408 W:W:?1 3.56 0 No Yes 9 0 1 0
R:R:K412 R:R:Q408 2.71 0 No No 6 9 2 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub2.00
Average Interaction Strength7.85
Average Nodes In Shell26.00
Average Hubs In Shell7.00
Average Links In Shell30.00
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 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8FYL A Amine 5-Hydroxytryptamine 5-HT1A Homo Sapiens Vilazodone PtdIns4P Gi1/Beta1/Gamma1 2.94 2024-05-15 doi.org/10.1038/s41586-024-07403-2

A 2D representation of the interactions of J40 in 8FYL
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
A:A:C351 A:A:L353 3.17 0 No Yes 4 8 2 2
A:A:C351 R:R:R134 12.54 0 No Yes 4 9 2 1
A:A:G352 W:W:?1 5.72 0 No Yes 4 0 1 0
A:A:L353 R:R:T346 2.95 0 Yes No 8 8 2 1
R:R:F48 R:R:L52 4.87 0 No No 4 4 2 1
R:R:L52 W:W:?1 2.78 0 No Yes 4 0 1 0
R:R:G53 R:R:Y402 4.35 2 No Yes 9 6 1 1
R:R:G53 W:W:?1 3.43 2 No Yes 9 0 1 0
R:R:V57 R:R:Y402 5.05 0 No Yes 9 6 2 1
R:R:I130 R:R:R134 3.76 2 No Yes 9 9 2 1
R:R:I130 R:R:Y400 6.04 2 No Yes 9 9 2 2
R:R:R134 R:R:Y215 6.17 2 Yes Yes 9 9 1 2
R:R:R134 R:R:Y400 5.14 2 Yes Yes 9 9 1 2
R:R:R134 W:W:?1 4.88 2 Yes Yes 9 0 1 0
R:R:I349 R:R:K345 5.82 2 No No 7 7 1 1
R:R:K345 W:W:?1 10.38 2 No Yes 7 0 1 0
R:R:T346 W:W:?1 9.87 0 No Yes 8 0 1 0
R:R:I349 R:R:I399 4.42 2 No No 7 8 1 2
R:R:I349 W:W:?1 3.82 2 No Yes 7 0 1 0
R:R:P397 R:R:Y402 2.78 0 No Yes 9 6 2 1
R:R:F403 R:R:V398 3.93 2 No No 8 6 1 1
R:R:V398 W:W:?1 2.99 2 No Yes 6 0 1 0
R:R:I399 R:R:Y400 4.84 0 No Yes 8 9 2 2
R:R:F411 R:R:Y402 9.28 0 No Yes 8 6 2 1
R:R:Y402 W:W:?1 7.06 2 Yes Yes 6 0 1 0
R:R:F403 W:W:?1 37.5 2 No Yes 8 0 1 0
R:R:D406 R:R:N404 12.12 2 Yes No 7 9 2 1
R:R:F407 R:R:N404 10.87 2 Yes No 8 9 2 1
R:R:N404 W:W:?1 9.19 2 No Yes 9 0 1 0
R:R:K405 R:R:Q408 8.14 0 No No 6 9 2 1
R:R:D406 R:R:F407 4.78 2 Yes Yes 7 8 2 2
R:R:Q408 W:W:?1 1.78 0 No Yes 9 0 1 0
A:A:G352 R:R:K342 1.74 0 No No 4 8 1 2
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub2.00
Average Interaction Strength8.28
Average Nodes In Shell27.00
Average Hubs In Shell8.00
Average Links In Shell33.00
Average Links Mediated by Hubs In Shell27.00
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
8FYT A Amine 5-Hydroxytryptamine 5-HT1A Homo Sapiens LSD PtdIns4P Gi1/Beta1/Gamma1 2.64 2024-05-15 doi.org/10.1038/s41586-024-07403-2

A 2D representation of the interactions of J40 in 8FYT
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
A:A:C351 R:R:R134 6.96 0 No Yes 4 9 2 1
A:A:G352 W:W:?1 5.72 0 No Yes 4 0 1 0
A:A:L353 R:R:T346 4.42 0 Yes No 8 8 2 1
R:R:G53 R:R:Y402 4.35 0 No Yes 9 6 2 1
R:R:V57 R:R:Y402 5.05 0 No Yes 9 6 2 1
R:R:I130 R:R:R134 7.52 1 No Yes 9 9 2 1
R:R:I130 R:R:Y400 6.04 1 No Yes 9 9 2 2
R:R:R134 R:R:Y215 8.23 1 Yes Yes 9 9 1 2
R:R:I350 R:R:R134 3.76 1 No Yes 8 9 2 1
R:R:R134 R:R:Y400 7.2 1 Yes Yes 9 9 1 2
R:R:R134 W:W:?1 4.88 1 Yes Yes 9 0 1 0
R:R:I350 R:R:Y215 8.46 1 No Yes 8 9 2 2
R:R:K342 W:W:?1 3.78 0 No Yes 8 0 1 0
R:R:I349 R:R:K345 4.36 1 No No 7 7 1 1
R:R:K345 W:W:?1 8.5 1 No Yes 7 0 1 0
R:R:T346 W:W:?1 9.87 0 No Yes 8 0 1 0
R:R:I349 W:W:?1 3.82 1 No Yes 7 0 1 0
R:R:I350 R:R:Y400 3.63 1 No Yes 8 9 2 2
R:R:V398 R:R:Y402 3.79 0 No Yes 6 6 2 1
R:R:F403 R:R:V398 3.93 0 No No 8 6 1 2
R:R:F411 R:R:Y402 8.25 0 No Yes 8 6 2 1
R:R:Y402 W:W:?1 9.42 0 Yes Yes 6 0 1 0
R:R:F403 W:W:?1 34.24 0 No Yes 8 0 1 0
R:R:D406 R:R:N404 12.12 1 Yes No 7 9 2 1
R:R:F407 R:R:N404 13.29 1 Yes No 8 9 2 1
R:R:N404 W:W:?1 5.52 1 No Yes 9 0 1 0
R:R:K405 R:R:Q408 5.42 0 No No 6 9 2 1
R:R:D406 R:R:F407 4.78 1 Yes Yes 7 8 2 2
R:R:Q408 W:W:?1 2.67 0 No Yes 9 0 1 0
R:R:C49 W:W:?1 2.12 0 No Yes 5 0 1 0
R:R:C49 R:R:T45 1.69 0 No No 5 4 1 2
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub2.00
Average Interaction Strength8.23
Average Nodes In Shell26.00
Average Hubs In Shell8.00
Average Links In Shell31.00
Average Links Mediated by Hubs In Shell27.00
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
8FYX A Amine 5-Hydroxytryptamine 5-HT1A Homo Sapiens Buspirone PtdIns4P Gi1/Beta1/Gamma1 2.72 2024-05-15 doi.org/10.1038/s41586-024-07403-2

A 2D representation of the interactions of J40 in 8FYX
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
A:A:C351 R:R:R134 8.36 0 No Yes 4 9 2 1
A:A:G352 W:W:?1 4.58 0 No Yes 4 0 1 0
R:R:L52 W:W:?1 3.71 0 No Yes 4 0 1 0
R:R:G53 R:R:Y402 4.35 0 No Yes 9 6 2 1
R:R:C56 R:R:Y402 4.03 0 No Yes 8 6 2 1
R:R:V57 R:R:Y402 3.79 16 Yes Yes 9 6 2 1
R:R:F407 R:R:V57 3.93 16 Yes Yes 8 9 2 2
R:R:I130 R:R:R134 7.52 1 No Yes 9 9 2 1
R:R:I130 R:R:Y400 7.25 1 No Yes 9 9 2 2
R:R:R134 R:R:Y215 8.23 1 Yes Yes 9 9 1 2
R:R:R134 R:R:Y400 6.17 1 Yes Yes 9 9 1 2
R:R:R134 W:W:?1 4.07 1 Yes Yes 9 0 1 0
R:R:K345 W:W:?1 14.16 0 No Yes 7 0 1 0
R:R:T346 W:W:?1 10.85 0 No Yes 8 0 1 0
R:R:I349 R:R:I399 4.42 0 No Yes 7 8 1 2
R:R:I349 W:W:?1 5.73 0 No Yes 7 0 1 0
R:R:F403 R:R:V398 3.93 1 No No 8 6 1 1
R:R:V398 W:W:?1 4.99 1 No Yes 6 0 1 0
R:R:I399 R:R:Y400 7.25 0 Yes Yes 8 9 2 2
R:R:F403 R:R:I399 3.77 1 No Yes 8 8 1 2
R:R:F411 R:R:Y402 9.28 0 No Yes 8 6 2 1
R:R:Y402 W:W:?1 7.85 0 Yes Yes 6 0 1 0
R:R:F403 W:W:?1 27.72 1 No Yes 8 0 1 0
R:R:F407 R:R:N404 10.87 16 Yes No 8 9 2 1
R:R:N404 W:W:?1 7.35 0 No Yes 9 0 1 0
R:R:K405 R:R:Q408 9.49 0 No No 6 9 2 1
R:R:F407 R:R:F411 5.36 16 Yes No 8 8 2 2
R:R:K342 W:W:?1 2.83 0 No Yes 8 0 1 0
R:R:F48 R:R:L52 2.44 0 No No 4 4 2 1
R:R:Q408 W:W:?1 0.89 0 No Yes 9 0 1 0
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub2.00
Average Interaction Strength7.89
Average Nodes In Shell25.00
Average Hubs In Shell8.00
Average Links In Shell30.00
Average Links Mediated by Hubs In Shell27.00
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
8JT6 A Amine 5-Hydroxytryptamine 5-HT1A Homo Sapiens (R)-IHCH-7179 PtdIns4P Gi1/Beta1/Gamma2 3 2024-02-28 doi.org/10.1016/j.cell.2024.02.034

A 2D representation of the interactions of J40 in 8JT6
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
A:A:C351 A:A:L353 6.35 0 No Yes 4 7 2 2
A:A:C351 R:R:R134 6.96 0 No Yes 4 9 2 1
A:A:G352 W:W:?1 5.72 0 No Yes 8 0 1 0
A:A:L353 R:R:T346 2.95 21 Yes No 7 8 2 1
R:R:I130 R:R:R134 3.76 10 No Yes 9 9 2 1
R:R:I130 R:R:Y400 3.63 10 No Yes 9 9 2 2
R:R:R134 R:R:Y215 3.09 10 Yes Yes 9 9 1 2
R:R:R134 R:R:Y400 4.12 10 Yes Yes 9 9 1 2
R:R:R134 W:W:?1 3.25 10 Yes Yes 9 0 1 0
R:R:K342 W:W:?1 4.72 0 No Yes 8 0 1 0
R:R:K345 W:W:?1 6.61 0 No Yes 7 0 1 0
R:R:T346 W:W:?1 14.8 0 No Yes 8 0 1 0
R:R:F403 R:R:V398 3.93 0 No No 8 6 1 2
R:R:F403 W:W:?1 7.34 0 No Yes 8 0 1 0
R:R:K405 R:R:Q408 4.07 0 No No 6 9 1 2
R:R:K405 W:W:?1 12.27 0 No Yes 6 0 1 0
StatisticsValue
Average Number Of Links7.00
Average Number Of Links With An Hub1.00
Average Interaction Strength7.82
Average Nodes In Shell15.00
Average Hubs In Shell5.00
Average Links In Shell16.00
Average Links Mediated by Hubs In Shell14.00
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
9DYD A Amine 5-Hydroxytryptamine 5-HT1A Homo Sapiens Asenapine PtdIns4P Go/Beta1/Gamma2 2.96 2025-08-13 doi.org/10.1126/sciadv.adu9851

A 2D representation of the interactions of J40 in 9DYD
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
A:A:C351 R:R:R134 8.36 0 No Yes 4 9 2 1
A:A:G352 W:W:?1 3.43 0 No Yes 8 0 1 0
R:R:G53 R:R:Y402 4.35 0 No Yes 9 6 2 1
R:R:V57 R:R:Y402 5.05 0 No Yes 9 6 2 1
R:R:I130 R:R:R134 6.26 2 No Yes 9 9 2 1
R:R:I130 R:R:Y400 8.46 2 No Yes 9 9 2 2
R:R:R134 R:R:Y215 7.2 2 Yes Yes 9 9 1 2
R:R:R134 R:R:Y400 6.17 2 Yes Yes 9 9 1 2
R:R:R134 W:W:?1 3.25 2 Yes Yes 9 0 1 0
R:R:I349 R:R:K345 4.36 2 No No 7 7 1 1
R:R:K345 W:W:?1 3.78 2 No Yes 7 0 1 0
R:R:T346 W:W:?1 10.85 0 No Yes 8 0 1 0
R:R:I349 R:R:I399 4.42 2 No No 7 8 1 2
R:R:I349 W:W:?1 5.73 2 No Yes 7 0 1 0
R:R:F403 R:R:V398 5.24 0 No No 8 6 1 2
R:R:F411 R:R:Y402 6.19 0 Yes Yes 8 6 2 1
R:R:Y402 W:W:?1 6.28 0 Yes Yes 6 0 1 0
R:R:F403 W:W:?1 30.17 0 No Yes 8 0 1 0
R:R:D406 R:R:N404 13.46 2 Yes No 7 9 2 1
R:R:F407 R:R:N404 12.08 2 Yes No 8 9 2 1
R:R:N404 W:W:?1 4.6 2 No Yes 9 0 1 0
R:R:D406 R:R:F407 4.78 2 Yes Yes 7 8 2 2
R:R:F407 R:R:F411 5.36 2 Yes Yes 8 8 2 2
A:A:G352 R:R:K342 1.74 0 No No 8 8 1 2
StatisticsValue
Average Number Of Links8.00
Average Number Of Links With An Hub2.00
Average Interaction Strength8.51
Average Nodes In Shell21.00
Average Hubs In Shell8.00
Average Links In Shell24.00
Average Links Mediated by Hubs In Shell20.00
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
9DYE A Amine 5-Hydroxytryptamine 5-HT1A Homo Sapiens Buspirone PtdIns4P Go/Beta1/Gamma2 2.9 2025-08-13 doi.org/10.1126/sciadv.adu9851

A 2D representation of the interactions of J40 in 9DYE
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
A:A:C351 A:A:L353 3.17 0 No Yes 4 6 2 2
A:A:C351 R:R:R134 9.75 0 No Yes 4 9 2 1
A:A:L353 R:R:T346 4.42 0 Yes No 6 8 2 1
R:R:G53 R:R:Y402 2.9 2 No Yes 9 6 1 1
R:R:G53 W:W:?1 4.58 2 No Yes 9 0 1 0
R:R:V57 R:R:Y402 3.79 0 Yes Yes 9 6 2 1
R:R:F407 R:R:V57 2.62 12 Yes Yes 8 9 2 2
R:R:I130 R:R:R134 5.01 2 No Yes 9 9 2 1
R:R:I130 R:R:Y400 6.04 2 No Yes 9 9 2 2
R:R:R134 R:R:Y215 5.14 2 Yes Yes 9 9 1 2
R:R:R134 R:R:Y400 4.12 2 Yes Yes 9 9 1 2
R:R:R134 W:W:?1 4.07 2 Yes Yes 9 0 1 0
R:R:I349 R:R:K345 5.82 2 No No 7 7 1 1
R:R:K345 W:W:?1 7.55 2 No Yes 7 0 1 0
R:R:T346 W:W:?1 5.92 0 No Yes 8 0 1 0
R:R:I349 R:R:I399 2.94 2 No No 7 8 1 2
R:R:I349 W:W:?1 2.87 2 No Yes 7 0 1 0
R:R:V398 R:R:Y402 3.79 2 No Yes 6 6 1 1
R:R:F403 R:R:V398 2.62 2 No No 8 6 1 1
R:R:V398 W:W:?1 4.99 2 No Yes 6 0 1 0
R:R:I399 R:R:Y400 3.63 0 No Yes 8 9 2 2
R:R:F411 R:R:Y402 6.19 0 No Yes 8 6 2 1
R:R:Y402 W:W:?1 10.99 2 Yes Yes 6 0 1 0
R:R:F403 W:W:?1 41.58 2 No Yes 8 0 1 0
R:R:F407 R:R:N404 13.29 12 Yes No 8 9 2 1
R:R:N404 W:W:?1 5.52 0 No Yes 9 0 1 0
R:R:G53 R:R:L52 1.71 2 No No 9 4 1 2
R:R:K342 R:R:T346 1.5 0 No No 8 8 2 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub2.00
Average Interaction Strength9.79
Average Nodes In Shell21.00
Average Hubs In Shell8.00
Average Links In Shell28.00
Average Links Mediated by Hubs In Shell23.00
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
9DYF A Amine 5-Hydroxytryptamine 5-HT1A Homo Sapiens Asenapine PtdIns4P Gi1/Beta1/Gamma2 2.74 2025-08-13 doi.org/10.1126/sciadv.adu9851

A 2D representation of the interactions of J40 in 9DYF
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
A:A:C351 A:A:L353 3.17 0 No Yes 4 7 2 2
A:A:C351 R:R:R134 9.75 0 No Yes 4 9 2 1
A:A:G352 W:W:?1 4.58 0 No Yes 8 0 1 0
A:A:L353 R:R:T346 4.42 0 Yes No 7 8 2 1
R:R:C49 W:W:?1 3.19 0 No Yes 5 0 1 0
R:R:V57 R:R:Y402 3.79 0 No No 9 6 2 1
R:R:I130 R:R:R134 5.01 19 No Yes 9 9 2 1
R:R:I130 R:R:Y400 4.84 19 No No 9 9 2 2
R:R:R134 R:R:Y215 7.2 19 Yes Yes 9 9 1 2
R:R:R134 R:R:Y400 4.12 19 Yes No 9 9 1 2
R:R:R134 W:W:?1 4.07 19 Yes Yes 9 0 1 0
R:R:K345 W:W:?1 6.61 0 No Yes 7 0 1 0
R:R:T346 W:W:?1 6.91 0 No Yes 8 0 1 0
R:R:I349 R:R:I399 4.42 0 No No 7 8 1 2
R:R:I349 W:W:?1 5.73 0 No Yes 7 0 1 0
R:R:V398 W:W:?1 4.99 0 No Yes 6 0 1 0
R:R:F411 R:R:Y402 4.13 0 No No 8 6 2 1
R:R:Y402 W:W:?1 7.85 0 No Yes 6 0 1 0
R:R:F403 W:W:?1 37.5 0 No Yes 8 0 1 0
R:R:F407 R:R:N404 10.87 12 Yes No 8 9 2 1
R:R:N404 W:W:?1 13.79 0 No Yes 9 0 1 0
R:R:K405 R:R:Q408 5.42 0 No No 6 9 1 2
R:R:K405 R:R:N409 4.2 0 No No 6 6 1 2
R:R:K405 W:W:?1 3.78 0 No Yes 6 0 1 0
R:R:K342 W:W:?1 2.83 0 No Yes 8 0 1 0
R:R:F48 R:R:L52 2.44 0 No No 4 4 2 1
R:R:L52 W:W:?1 1.85 0 No Yes 4 0 1 0
R:R:L394 W:W:?1 1.85 0 No Yes 7 0 1 0
R:R:G53 R:R:L52 1.71 0 No No 9 4 2 1
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub1.00
Average Interaction Strength7.54
Average Nodes In Shell28.00
Average Hubs In Shell5.00
Average Links In Shell29.00
Average Links Mediated by Hubs In Shell21.00
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
9KVG A Amine 5-Hydroxytryptamine 5-HT1A Homo Sapiens 5-MeO-DMT PtdIns4P Gi1/Beta1/Gamma2 2.63 2025-12-03 To be published

A 2D representation of the interactions of J40 in 9KVG
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
A:A:C351 R:R:R134 9.75 0 No Yes 4 9 2 1
A:A:G352 W:W:?1 3.43 0 No Yes 8 0 1 0
R:R:C56 R:R:L52 3.17 0 No No 8 4 2 1
R:R:L52 W:W:?1 3.71 0 No Yes 4 0 1 0
R:R:G53 W:W:?1 3.43 0 No Yes 9 0 1 0
R:R:V57 R:R:Y402 5.05 0 Yes No 9 6 2 1
R:R:I130 R:R:R134 6.26 7 No Yes 9 9 2 1
R:R:I130 R:R:Y400 6.04 7 No Yes 9 9 2 2
R:R:R134 R:R:Y400 3.09 7 Yes Yes 9 9 1 2
R:R:R134 W:W:?1 8.95 7 Yes Yes 9 0 1 0
R:R:K345 W:W:?1 7.55 0 No Yes 7 0 1 0
R:R:T346 W:W:?1 11.84 0 No Yes 8 0 1 0
R:R:I349 W:W:?1 4.78 0 No Yes 7 0 1 0
R:R:V398 W:W:?1 5.98 0 No Yes 6 0 1 0
R:R:Y402 W:W:?1 9.42 0 No Yes 6 0 1 0
R:R:F403 W:W:?1 22.83 0 No Yes 8 0 1 0
R:R:K405 W:W:?1 9.44 0 No Yes 6 0 1 0
R:R:K405 R:R:Q408 2.71 0 No No 6 9 1 2
R:R:F48 R:R:L52 1.22 0 No No 4 4 2 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub1.00
Average Interaction Strength8.31
Average Nodes In Shell19.00
Average Hubs In Shell4.00
Average Links In Shell19.00
Average Links Mediated by Hubs In Shell16.00
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
9KVH A Amine 5-Hydroxytryptamine 5-HT1A Homo Sapiens Cinobufotenine PtdIns4P Gi1/Beta1/Gamma2 2.59 2025-12-03 To be published

A 2D representation of the interactions of J40 in 9KVH
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
A:A:C351 A:A:L353 3.17 0 No Yes 4 7 2 2
A:A:C351 R:R:R134 12.54 0 No Yes 4 9 2 1
A:A:L353 R:R:T343 4.42 1 Yes Yes 7 8 2 2
A:A:L353 R:R:T346 4.42 1 Yes Yes 7 8 2 1
R:R:G53 R:R:Y402 2.9 1 No Yes 9 6 1 1
R:R:G53 W:W:?1 3.43 1 No Yes 9 0 1 0
R:R:C56 R:R:Y402 2.69 1 No Yes 8 6 2 1
R:R:C56 R:R:F411 2.79 1 No Yes 8 8 2 2
R:R:V57 R:R:Y402 5.05 1 Yes Yes 9 6 2 1
R:R:I130 R:R:R134 6.26 1 No Yes 9 9 2 1
R:R:I130 R:R:Y400 8.46 1 No Yes 9 9 2 2
R:R:R134 R:R:Y400 7.2 1 Yes Yes 9 9 1 2
R:R:R134 W:W:?1 9.76 1 Yes Yes 9 0 1 0
R:R:I350 R:R:Y215 8.46 0 No Yes 8 9 1 2
R:R:T343 R:R:T346 3.14 1 Yes Yes 8 8 2 1
R:R:I349 R:R:K345 4.36 1 No No 7 7 1 1
R:R:K345 W:W:?1 9.44 1 No Yes 7 0 1 0
R:R:T346 W:W:?1 4.93 1 Yes Yes 8 0 1 0
R:R:I349 R:R:I399 2.94 1 No No 7 8 1 2
R:R:I349 W:W:?1 4.78 1 No Yes 7 0 1 0
R:R:I350 W:W:?1 2.87 0 No Yes 8 0 1 0
R:R:I399 R:R:Y400 3.63 0 No Yes 8 9 2 2
R:R:F411 R:R:Y402 8.25 1 Yes Yes 8 6 2 1
R:R:Y402 W:W:?1 7.85 1 Yes Yes 6 0 1 0
R:R:F403 W:W:?1 44.03 0 No Yes 8 0 1 0
R:R:K405 R:R:Q408 8.14 0 No No 6 9 1 2
R:R:K405 W:W:?1 5.66 0 No Yes 6 0 1 0
R:R:F403 R:R:V398 2.62 0 No No 8 6 1 2
A:A:G352 W:W:?1 2.29 0 No Yes 8 0 1 0
R:R:G53 R:R:L52 1.71 1 No No 9 4 1 2
R:R:K342 R:R:T346 1.5 0 No Yes 8 8 2 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub3.00
Average Interaction Strength9.50
Average Nodes In Shell25.00
Average Hubs In Shell10.00
Average Links In Shell31.00
Average Links Mediated by Hubs In Shell26.00
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
9KVI A Amine 5-Hydroxytryptamine 5-HT1A Homo Sapiens Bufotenin PtdIns4P Gi1/Beta1/Gamma2 2.54 2025-12-03 To be published

A 2D representation of the interactions of J40 in 9KVI
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:G53 R:R:Y402 4.35 0 No Yes 9 6 2 1
R:R:C56 R:R:Y402 4.03 0 No Yes 8 6 2 1
R:R:V57 R:R:Y402 5.05 0 No Yes 9 6 2 1
R:R:T346 W:W:?1 3.95 0 No Yes 8 0 1 0
R:R:F403 R:R:V398 6.55 0 No No 8 6 1 2
R:R:F411 R:R:Y402 9.28 0 No Yes 8 6 2 1
R:R:Y402 W:W:?1 3.14 0 Yes Yes 6 0 1 0
R:R:F403 W:W:?1 3.26 0 No Yes 8 0 1 0
R:R:K405 R:R:Q408 6.78 0 No No 6 9 1 2
R:R:K405 W:W:?1 8.5 0 No Yes 6 0 1 0
StatisticsValue
Average Number Of Links4.00
Average Number Of Links With An Hub1.00
Average Interaction Strength4.71
Average Nodes In Shell11.00
Average Hubs In Shell2.00
Average Links In Shell10.00
Average Links Mediated by Hubs In Shell8.00
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
9MD1 A Amine 5-Hydroxytryptamine 5-HT1A Homo Sapiens Buspirone PtdIns4P Gz/Beta1/Gamma2 3.03 2025-08-13 doi.org/10.1126/sciadv.adu9851

A 2D representation of the interactions of J40 in 9MD1
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
A:A:G353 R:R:K342 1.74 0 No No 8 8 1 2
A:A:G353 W:W:?1 2.29 0 No Yes 8 0 1 0
A:A:L354 R:R:T346 4.42 0 Yes No 7 8 2 1
R:R:G53 R:R:Y402 4.35 0 No Yes 9 6 2 1
R:R:P397 R:R:V57 1.77 10 No Yes 9 9 2 2
R:R:V57 R:R:Y402 2.52 10 Yes Yes 9 6 2 1
R:R:I349 R:R:K345 2.91 10 No No 7 7 1 1
R:R:K345 W:W:?1 9.44 10 No Yes 7 0 1 0
R:R:T346 W:W:?1 6.91 0 No Yes 8 0 1 0
R:R:I349 R:R:I399 4.42 10 No No 7 8 1 2
R:R:I349 W:W:?1 3.82 10 No Yes 7 0 1 0
R:R:P397 R:R:Y402 2.78 10 No Yes 9 6 2 1
R:R:V398 R:R:Y402 6.31 10 No Yes 6 6 1 1
R:R:F403 R:R:V398 2.62 10 No No 8 6 1 1
R:R:V398 W:W:?1 3.99 10 No Yes 6 0 1 0
R:R:F411 R:R:Y402 3.09 0 No Yes 8 6 2 1
R:R:Y402 W:W:?1 8.63 10 Yes Yes 6 0 1 0
R:R:F403 W:W:?1 37.5 10 No Yes 8 0 1 0
R:R:F407 R:R:N404 8.46 9 Yes No 8 9 2 1
R:R:N404 W:W:?1 6.43 0 No Yes 9 0 1 0
R:R:K405 R:R:Q408 4.07 0 No No 6 9 2 1
R:R:F407 R:R:F411 4.29 9 Yes No 8 8 2 2
R:R:Q408 W:W:?1 1.78 0 No Yes 9 0 1 0
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub1.00
Average Interaction Strength8.98
Average Nodes In Shell19.00
Average Hubs In Shell5.00
Average Links In Shell23.00
Average Links Mediated by Hubs In Shell18.00
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 Links9.50
Average Number Of Links With An Hub1.59
Average Interaction Strength8.20
Average Nodes In Shell20.75
Average Hubs In Shell6.00
Average Links In Shell23.47
Average Links Mediated by Hubs In Shell18.97

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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 🔍)