CodeYLX
NameBuspirone
SynonymsBuspirona
Identifier
FormulaC21 H31 N5 O2
Molecular Weight385.503
SMILES
PubChem2477
Formal Charge0
Total Atoms59
Total Chiral Atoms0
Total Bonds62
Total Aromatic Bonds6
Networks6
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This ligand is also present in the following 6 networks:

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 - Gi1/Beta1/Gamma1 2.72 2024-05-15 doi.org/10.1038/s41586-024-07403-2

A 2D representation of the interactions of YLX 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
L:L:?1 R:R:Y96 9.2 1 Yes No 0 6 0 1
L:L:?1 R:R:W102 5.21 1 Yes Yes 0 9 0 1
L:L:?1 R:R:D116 16.86 1 Yes Yes 0 8 0 1
L:L:?1 R:R:V117 8.77 1 Yes No 0 8 0 1
L:L:?1 R:R:C120 5.19 1 Yes No 0 7 0 1
L:L:?1 R:R:F361 16.72 1 Yes Yes 0 8 0 1
L:L:?1 R:R:F362 7.96 1 Yes Yes 0 7 0 1
L:L:?1 R:R:N386 8.08 1 Yes No 0 7 0 1
L:L:?1 R:R:Y390 10.73 1 Yes Yes 0 8 0 1
R:R:D116 R:R:V89 11.69 1 Yes No 8 8 1 2
R:R:V89 R:R:Y390 3.79 1 No Yes 8 8 2 1
R:R:L90 R:R:W387 4.56 1 No Yes 8 8 2 2
R:R:L90 R:R:Y390 9.38 1 No Yes 8 8 2 1
R:R:A93 R:R:Y390 5.34 0 No Yes 7 8 2 1
R:R:W102 R:R:Y96 5.79 1 Yes No 9 6 1 1
R:R:L104 R:R:W102 12.53 0 No Yes 7 9 2 1
R:R:C109 R:R:W102 9.14 1 No Yes 9 9 2 1
R:R:F112 R:R:W102 5.01 0 No Yes 6 9 2 1
R:R:C187 R:R:W102 16.98 1 No Yes 9 9 2 1
R:R:C109 R:R:C187 7.28 1 No No 9 9 2 2
R:R:C120 R:R:D116 4.67 1 No Yes 7 8 1 1
R:R:D116 R:R:Y390 11.49 1 Yes Yes 8 8 1 1
R:R:C120 R:R:W358 5.22 1 No Yes 7 8 1 2
R:R:F362 R:R:T200 5.19 1 Yes No 7 7 1 2
R:R:F204 R:R:F362 20.36 1 Yes Yes 8 7 2 1
R:R:F361 R:R:W358 8.02 1 Yes Yes 8 8 1 2
R:R:F362 R:R:W358 9.02 1 Yes Yes 7 8 1 2
R:R:F361 R:R:F362 13.93 1 Yes Yes 8 7 1 1
R:R:F361 R:R:N386 4.83 1 Yes No 8 7 1 1
R:R:W387 R:R:Y390 8.68 1 Yes Yes 8 8 2 1
R:R:S168 R:R:V117 3.23 0 No No 8 8 2 1
R:R:A365 R:R:F361 2.77 0 No Yes 8 8 2 1
R:R:A186 R:R:Y96 1.33 0 No No 4 6 2 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub5.00
Average Interaction Strength9.86
Average Nodes In Shell24.00
Average Hubs In Shell9.00
Average Links In Shell33.00
Average Links Mediated by Hubs In Shell30.00

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 - Go/Beta1/Gamma2 2.9 2025-08-13 doi.org/10.1126/sciadv.adu9851

A 2D representation of the interactions of YLX 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
L:L:?1 R:R:A93 3.09 2 Yes No 0 7 0 1
L:L:?1 R:R:W102 4.47 2 Yes Yes 0 9 0 1
L:L:?1 R:R:F112 2.39 2 Yes No 0 6 0 1
L:L:?1 R:R:D116 20.41 2 Yes Yes 0 8 0 1
L:L:?1 R:R:V117 8.77 2 Yes No 0 8 0 1
L:L:?1 R:R:C120 3.11 2 Yes No 0 7 0 1
L:L:?1 R:R:T121 1.93 2 Yes Yes 0 8 0 1
L:L:?1 R:R:C187 4.15 2 Yes Yes 0 9 0 1
L:L:?1 R:R:I189 1.87 2 Yes No 0 6 0 1
L:L:?1 R:R:A203 2.06 2 Yes No 0 8 0 1
L:L:?1 R:R:W358 2.23 2 Yes Yes 0 8 0 1
L:L:?1 R:R:F361 15.93 2 Yes Yes 0 8 0 1
L:L:?1 R:R:F362 5.57 2 Yes Yes 0 7 0 1
L:L:?1 R:R:N386 8.98 2 Yes No 0 7 0 1
L:L:?1 R:R:Y390 11.5 2 Yes Yes 0 8 0 1
R:R:D116 R:R:V89 5.84 2 Yes No 8 8 1 2
R:R:L90 R:R:Y390 5.86 0 Yes Yes 8 8 2 1
R:R:F112 R:R:M92 7.46 0 No No 6 6 1 2
R:R:A93 R:R:W387 2.59 2 No Yes 7 8 1 2
R:R:A93 R:R:Y390 2.67 2 No Yes 7 8 1 1
R:R:W102 R:R:Y96 8.68 2 Yes No 9 6 1 2
R:R:L104 R:R:W102 11.39 2 No Yes 7 9 2 1
R:R:T108 R:R:W102 2.43 2 No Yes 6 9 2 1
R:R:C109 R:R:W102 3.92 2 No Yes 9 9 2 1
R:R:C187 R:R:W102 9.14 2 Yes Yes 9 9 1 1
R:R:L104 R:R:T108 7.37 2 No No 7 6 2 2
R:R:F112 R:R:T108 2.59 0 No No 6 6 1 2
R:R:C109 R:R:I113 3.27 2 No No 9 7 2 2
R:R:C109 R:R:C187 7.28 2 No Yes 9 9 2 1
R:R:C187 R:R:I113 3.27 2 Yes No 9 7 1 2
R:R:C120 R:R:D116 3.11 2 No Yes 7 8 1 1
R:R:D116 R:R:Y390 8.05 2 Yes Yes 8 8 1 1
R:R:S168 R:R:V117 3.23 0 No No 8 8 2 1
R:R:C120 R:R:W358 5.22 2 No Yes 7 8 1 1
R:R:T121 R:R:W125 2.43 2 Yes Yes 8 7 1 2
R:R:G164 R:R:T121 3.64 0 No Yes 8 8 2 1
R:R:I167 R:R:T121 6.08 0 No Yes 8 8 2 1
R:R:A203 R:R:T121 3.36 2 No Yes 8 8 1 1
R:R:F354 R:R:I124 3.77 2 Yes No 9 8 2 2
R:R:I124 R:R:W358 9.4 2 No Yes 8 8 2 1
R:R:I189 R:R:K191 2.91 0 No No 6 5 1 2
R:R:I189 R:R:Y195 3.63 0 No Yes 6 8 1 2
R:R:F362 R:R:T200 2.59 2 Yes Yes 7 7 1 2
R:R:A203 R:R:F362 2.77 2 No Yes 8 7 1 1
R:R:F204 R:R:F354 5.36 2 Yes Yes 8 9 2 2
R:R:F204 R:R:W358 3.01 2 Yes Yes 8 8 2 1
R:R:F204 R:R:F362 18.22 2 Yes Yes 8 7 2 1
R:R:F354 R:R:W358 3.01 2 Yes Yes 9 8 2 1
R:R:F361 R:R:W358 5.01 2 Yes Yes 8 8 1 1
R:R:F362 R:R:W358 5.01 2 Yes Yes 7 8 1 1
R:R:G389 R:R:W358 5.63 0 No Yes 8 8 2 1
R:R:N392 R:R:W358 9.04 0 No Yes 9 8 2 1
R:R:F361 R:R:F362 11.79 2 Yes Yes 8 7 1 1
R:R:A365 R:R:F361 4.16 0 No Yes 8 8 2 1
R:R:F361 R:R:N386 2.42 2 Yes No 8 7 1 1
R:R:I385 R:R:N386 2.83 0 No No 6 7 2 1
R:R:W387 R:R:Y390 9.65 2 Yes Yes 8 8 2 1
StatisticsValue
Average Number Of Links15.00
Average Number Of Links With An Hub8.00
Average Interaction Strength6.43
Average Nodes In Shell39.00
Average Hubs In Shell16.00
Average Links In Shell57.00
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 🔍)
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 - Gz/Beta1/Gamma2 3.03 2025-08-13 doi.org/10.1126/sciadv.adu9851

A 2D representation of the interactions of YLX 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
L:L:?1 R:R:V89 1.95 1 Yes Yes 0 8 0 1
L:L:?1 R:R:A93 5.15 1 Yes No 0 7 0 1
L:L:?1 R:R:Y96 6.9 1 Yes No 0 6 0 1
L:L:?1 R:R:W102 5.21 1 Yes Yes 0 9 0 1
L:L:?1 R:R:F112 3.98 1 Yes Yes 0 6 0 1
L:L:?1 R:R:D116 19.52 1 Yes No 0 8 0 1
L:L:?1 R:R:V117 6.82 1 Yes No 0 8 0 1
L:L:?1 R:R:C120 6.23 1 Yes No 0 7 0 1
L:L:?1 R:R:T121 1.93 1 Yes Yes 0 8 0 1
L:L:?1 R:R:C187 4.15 1 Yes No 0 9 0 1
L:L:?1 R:R:I189 1.87 1 Yes No 0 6 0 1
L:L:?1 R:R:A203 2.06 1 Yes No 0 8 0 1
L:L:?1 R:R:F361 14.33 1 Yes Yes 0 8 0 1
L:L:?1 R:R:F362 7.17 1 Yes Yes 0 7 0 1
L:L:?1 R:R:N386 7.18 1 Yes No 0 7 0 1
L:L:?1 R:R:Y390 8.43 1 Yes Yes 0 8 0 1
R:R:D116 R:R:V89 7.3 1 No Yes 8 8 1 1
R:R:C119 R:R:V89 1.71 0 No Yes 7 8 2 1
R:R:V89 R:R:Y390 3.79 1 Yes Yes 8 8 1 1
R:R:L90 R:R:W387 2.28 1 No Yes 8 8 2 2
R:R:L90 R:R:Y390 8.21 1 No Yes 8 8 2 1
R:R:M92 R:R:W102 3.49 1 No Yes 6 9 2 1
R:R:L104 R:R:M92 4.24 1 Yes No 7 6 2 2
R:R:F112 R:R:M92 13.68 1 Yes No 6 6 1 2
R:R:A93 R:R:W387 2.59 0 No Yes 7 8 1 2
R:R:W102 R:R:Y96 7.72 1 Yes No 9 6 1 1
R:R:D185 R:R:Y96 9.2 0 No No 4 6 2 1
R:R:L104 R:R:W102 10.25 1 Yes Yes 7 9 2 1
R:R:T108 R:R:W102 4.85 1 Yes Yes 6 9 2 1
R:R:C109 R:R:W102 3.92 1 Yes Yes 9 9 2 1
R:R:F112 R:R:W102 5.01 1 Yes Yes 6 9 1 1
R:R:C187 R:R:W102 14.37 1 No Yes 9 9 1 1
R:R:L104 R:R:T108 5.9 1 Yes Yes 7 6 2 2
R:R:F112 R:R:T108 2.59 1 Yes Yes 6 6 1 2
R:R:C109 R:R:C187 5.46 1 Yes No 9 9 2 1
R:R:D116 R:R:Y390 10.34 1 No Yes 8 8 1 1
R:R:S168 R:R:V117 3.23 0 No No 8 8 2 1
R:R:C120 R:R:W358 5.22 0 No Yes 7 8 1 2
R:R:T121 R:R:W125 2.43 1 Yes Yes 8 7 1 2
R:R:G164 R:R:T121 3.64 0 No Yes 8 8 2 1
R:R:A203 R:R:T121 5.03 1 No Yes 8 8 1 1
R:R:I124 R:R:W358 9.4 1 Yes Yes 8 8 2 2
R:R:F362 R:R:I124 2.51 1 Yes Yes 7 8 1 2
R:R:I189 R:R:Y195 7.25 0 No Yes 6 8 1 2
R:R:F362 R:R:T200 2.59 1 Yes Yes 7 7 1 2
R:R:A203 R:R:F362 2.77 1 No Yes 8 7 1 1
R:R:F204 R:R:W358 3.01 1 Yes Yes 8 8 2 2
R:R:F204 R:R:F362 20.36 1 Yes Yes 8 7 2 1
R:R:F361 R:R:W358 7.02 1 Yes Yes 8 8 1 2
R:R:F362 R:R:W358 6.01 1 Yes Yes 7 8 1 2
R:R:F361 R:R:F362 9.65 1 Yes Yes 8 7 1 1
R:R:F361 R:R:N386 2.42 1 Yes No 8 7 1 1
R:R:W387 R:R:Y390 5.79 1 Yes Yes 8 8 2 1
R:R:L115 R:R:V89 1.49 0 No Yes 5 8 2 1
StatisticsValue
Average Number Of Links16.00
Average Number Of Links With An Hub7.00
Average Interaction Strength6.43
Average Nodes In Shell34.00
Average Hubs In Shell18.00
Average Links In Shell54.00
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 🔍)
StatisticsValue
Average Number Of Links11.83
Average Number Of Links With An Hub5.67
Average Interaction Strength8.18
Average Nodes In Shell28.33
Average Hubs In Shell12.00
Average Links In Shell41.00
Average Links Mediated by Hubs In Shell37.33

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 🔍)