Code68H
NameLevosalbutamol
Synonyms(-)-Albuterol
Identifier4-[(1R)-2-(tert-butylamino)-1-hydroxy-ethyl]-2-(hydroxymethyl)phenol
FormulaC13 H21 N O3
Molecular Weight239.311
SMILESCC(C)(C)NC[C@@H](c1ccc(c(c1)CO)O)O
PubChem123600
Formal Charge0
Total Atoms38
Total Chiral Atoms1
Total Bonds38
Total Aromatic Bonds6
Networks3
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This ligand is also present in the following 3 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
2Y04 A Amine Adrenergic Beta1 Meleagris gallopavo Salbutamol - - 3.05 2011-01-12 10.1038/nature09746

A 2D representation of the interactions of 68H in 2Y04
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:D121 R:R:V94 4.38 1 No No 7 7 1 2
R:R:V94 R:R:Y333 6.31 1 No Yes 7 7 2 1
R:R:V95 R:R:W330 6.13 1 No Yes 7 6 2 2
R:R:V95 R:R:Y333 3.79 1 No Yes 7 7 2 1
R:R:F97 R:R:W107 5.01 1 Yes Yes 4 7 2 2
R:R:F97 R:R:W117 8.02 1 Yes Yes 4 6 2 1
R:R:G98 R:R:W117 5.63 0 No Yes 6 6 2 1
R:R:W107 R:R:W117 11.25 1 Yes Yes 7 6 2 1
R:R:F201 R:R:T118 7.78 1 Yes No 4 6 1 1
L:L:?8 R:R:T118 3.47 1 Yes No 0 6 0 1
R:R:D121 R:R:Y333 12.64 1 No Yes 7 7 1 1
L:L:?8 R:R:D121 20.23 1 Yes No 0 7 0 1
R:R:S173 R:R:V122 3.23 0 No No 7 6 2 1
L:L:?8 R:R:V122 16.37 1 Yes No 0 6 0 1
R:R:V125 R:R:W303 8.58 0 No Yes 6 8 1 2
L:L:?8 R:R:V125 5.84 1 Yes No 0 6 0 1
R:R:F201 R:R:W182 15.03 1 Yes Yes 4 5 1 2
R:R:W182 R:R:Y207 6.75 1 Yes Yes 5 7 2 2
R:R:F201 R:R:T203 7.78 1 Yes No 4 4 1 2
R:R:F201 R:R:Y207 7.22 1 Yes Yes 4 7 1 2
L:L:?8 R:R:F201 6.69 1 Yes Yes 0 4 0 1
R:R:T203 R:R:Y207 4.99 1 No Yes 4 7 2 2
R:R:S211 R:R:Y207 13.99 0 No Yes 6 7 1 2
L:L:?8 R:R:S211 8.25 1 Yes No 0 6 0 1
R:R:F307 R:R:S212 5.28 1 Yes No 7 6 1 2
R:R:N310 R:R:S212 5.96 0 No No 6 6 2 2
R:R:F216 R:R:F307 30.01 0 No Yes 7 7 2 1
R:R:F306 R:R:W303 5.01 1 Yes Yes 7 8 1 2
R:R:F307 R:R:W303 6.01 1 Yes Yes 7 8 1 2
R:R:F306 R:R:F307 9.65 1 Yes Yes 7 7 1 1
R:R:F306 R:R:N310 3.62 1 Yes No 7 6 1 2
R:R:F306 R:R:F325 5.36 1 Yes No 7 4 1 2
R:R:F306 R:R:N329 9.67 1 Yes No 7 6 1 1
L:L:?8 R:R:F306 10.51 1 Yes Yes 0 7 0 1
L:L:?8 R:R:F307 10.51 1 Yes Yes 0 7 0 1
R:R:N329 R:R:Y333 12.79 1 No Yes 6 7 1 1
L:L:?8 R:R:N329 15.08 1 Yes No 0 6 0 1
R:R:W330 R:R:Y333 17.36 1 Yes Yes 6 7 2 1
L:L:?8 R:R:Y333 4.6 1 Yes Yes 0 7 0 1
L:L:?8 R:R:W117 2.68 1 Yes Yes 0 6 0 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub5.00
Average Interaction Strength9.48
Average Nodes In Shell27.00
Average Hubs In Shell12.00
Average Links In Shell40.00
Average Links Mediated by Hubs In Shell37.00
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
6H7M A Amine Adrenergic Beta1 Meleagris gallopavo Salbutamol - - 2.76 2018-10-17 10.1126/science.aau5595

A 2D representation of the interactions of 68H in 6H7M
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:D121 R:R:V94 5.84 1 No No 7 7 1 2
R:R:V94 R:R:Y333 3.79 1 No Yes 7 7 2 1
R:R:V95 R:R:W330 4.9 1 No Yes 7 6 2 2
R:R:V95 R:R:Y333 6.31 1 No Yes 7 7 2 1
R:R:F97 R:R:W107 4.01 1 No Yes 4 7 2 2
R:R:F97 R:R:W117 7.02 1 No Yes 4 6 2 1
R:R:G98 R:R:W117 5.63 0 No Yes 6 6 2 1
R:R:W107 R:R:W117 7.5 1 Yes Yes 7 6 2 1
L:L:?4 R:R:W117 4.47 1 Yes Yes 0 6 0 1
R:R:I177 R:R:T118 4.56 1 Yes No 6 6 2 2
R:R:F201 R:R:T118 5.19 1 Yes No 4 6 1 2
R:R:D121 R:R:Y333 9.2 1 No Yes 7 7 1 1
L:L:?4 R:R:D121 25.56 1 Yes No 0 7 0 1
L:L:?4 R:R:V122 16.37 1 Yes No 0 6 0 1
R:R:V125 R:R:W303 9.81 0 No Yes 6 8 1 2
L:L:?4 R:R:V125 7.01 1 Yes No 0 6 0 1
R:R:S215 R:R:T126 9.59 0 No No 6 6 1 2
R:R:I177 R:R:W182 8.22 1 Yes Yes 6 5 2 2
R:R:F201 R:R:I177 3.77 1 Yes Yes 4 6 1 2
R:R:I177 R:R:Y207 3.63 1 Yes Yes 6 7 2 2
R:R:F201 R:R:W182 7.02 1 Yes Yes 4 5 1 2
R:R:W182 R:R:Y207 3.86 1 Yes Yes 5 7 2 2
R:R:F201 R:R:T203 6.49 1 Yes No 4 4 1 2
R:R:F201 R:R:Y207 5.16 1 Yes Yes 4 7 1 2
L:L:?4 R:R:F201 9.56 1 Yes Yes 0 4 0 1
R:R:T203 R:R:Y207 6.24 1 No Yes 4 7 2 2
R:R:S211 R:R:Y207 11.45 0 No Yes 6 7 1 2
L:L:?4 R:R:S211 8.25 1 Yes No 0 6 0 1
R:R:F307 R:R:S212 5.28 1 Yes No 7 6 1 2
L:L:?4 R:R:S215 7.07 1 Yes No 0 6 0 1
R:R:F216 R:R:F307 21.43 1 Yes Yes 7 7 2 1
R:R:F306 R:R:W303 5.01 1 Yes Yes 7 8 1 2
R:R:F307 R:R:W303 6.01 1 Yes Yes 7 8 1 2
R:R:F306 R:R:F307 13.93 1 Yes Yes 7 7 1 1
R:R:F306 R:R:F325 4.29 1 Yes Yes 7 4 1 2
R:R:F306 R:R:N329 12.08 1 Yes No 7 6 1 1
L:L:?4 R:R:F306 9.56 1 Yes Yes 0 7 0 1
L:L:?4 R:R:F307 11.47 1 Yes Yes 0 7 0 1
R:R:N329 R:R:Y333 13.96 1 No Yes 6 7 1 1
L:L:?4 R:R:N329 15.08 1 Yes No 0 6 0 1
R:R:W330 R:R:Y333 7.72 1 Yes Yes 6 7 2 1
L:L:?4 R:R:Y333 4.6 1 Yes Yes 0 7 0 1
R:R:S211 R:R:V172 1.62 0 No No 6 5 1 2
R:R:S215 R:R:V172 1.62 0 No No 6 5 1 2
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub5.00
Average Interaction Strength10.82
Average Nodes In Shell29.00
Average Hubs In Shell14.00
Average Links In Shell44.00
Average Links Mediated by Hubs In Shell40.00
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
7DHI A Amine Adrenergic Beta2 Homo sapiens Salbutamol - Gs/Beta1/Gamma2 3.26 2020-12-16 10.1093/nsr/nwaa284

A 2D representation of the interactions of 68H in 7DHI
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:D113 R:R:V86 8.76 2 No No 7 7 1 2
R:R:V86 R:R:Y316 5.05 2 No Yes 7 6 2 1
R:R:V87 R:R:W313 4.9 2 No Yes 7 5 2 2
R:R:V87 R:R:Y316 5.05 2 No Yes 7 6 2 1
R:R:D113 R:R:Y316 9.2 2 No Yes 7 6 1 1
L:L:?3 R:R:D113 19.17 2 Yes No 0 7 0 1
L:L:?3 R:R:V114 8.18 2 Yes No 0 5 0 1
R:R:V117 R:R:W286 9.81 0 No Yes 6 8 1 2
L:L:?3 R:R:V117 7.01 2 Yes No 0 6 0 1
R:R:S207 R:R:T118 9.59 0 No No 5 6 1 2
R:R:F193 R:R:T195 7.78 0 No No 4 3 1 2
L:L:?3 R:R:F193 10.51 2 Yes No 0 4 0 1
R:R:T195 R:R:Y199 3.75 0 No Yes 3 6 2 2
R:R:S203 R:R:Y199 15.26 0 No Yes 5 6 1 2
L:L:?3 R:R:S203 5.89 2 Yes No 0 5 0 1
R:R:F290 R:R:S204 7.93 2 Yes No 7 5 1 2
L:L:?3 R:R:S207 7.07 2 Yes No 0 5 0 1
R:R:F208 R:R:F290 18.22 0 Yes Yes 8 7 2 1
R:R:F289 R:R:W286 4.01 2 Yes Yes 6 8 1 2
R:R:F290 R:R:W286 4.01 2 Yes Yes 7 8 1 2
R:R:F289 R:R:F290 9.65 2 Yes Yes 6 7 1 1
R:R:F289 R:R:N293 4.83 2 Yes No 6 5 1 2
R:R:F289 R:R:Y308 8.25 2 Yes No 6 5 1 2
R:R:F289 R:R:N312 20.54 2 Yes No 6 5 1 1
L:L:?3 R:R:F289 5.73 2 Yes Yes 0 6 0 1
L:L:?3 R:R:F290 5.73 2 Yes Yes 0 7 0 1
R:R:N293 R:R:Y308 5.81 2 No No 5 5 2 2
L:L:?3 R:R:N312 12.93 2 Yes No 0 5 0 1
R:R:W313 R:R:Y316 8.68 2 Yes Yes 5 6 2 1
L:L:?3 R:R:Y316 4.6 2 Yes Yes 0 6 0 1
R:R:F193 R:R:T110 2.59 0 No No 4 4 1 2
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub3.00
Average Interaction Strength8.68
Average Nodes In Shell23.00
Average Hubs In Shell8.00
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 🔍)
StatisticsValue
Average Number Of Links10.67
Average Number Of Links With An Hub4.33
Average Interaction Strength9.66
Average Nodes In Shell26.33
Average Hubs In Shell11.33
Average Links In Shell38.33
Average Links Mediated by Hubs In Shell34.33

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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 🔍)