CodeY00
NameDOBUTAMINE
Synonyms
Identifier4-[2-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]amino]ethyl]benzene-1,2-diol
FormulaC18 H23 N O3
Molecular Weight301.38
SMILESC[C@H](CCc1ccc(cc1)O)NCCc2ccc(c(c2)O)O
PubChem667531
Formal Charge0
Total Atoms45
Total Chiral Atoms1
Total Bonds46
Total Aromatic Bonds12
Networks4
 missing image

This ligand is also present in the following 4 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
2Y00 A Amine Adrenergic Beta1 Meleagris gallopavo Dobutamine - - 2.5 2011-01-12 10.1038/nature09746

A 2D representation of the interactions of Y00 in 2Y00
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:M48 R:R:W330 8.14 0 No Yes 6 6 2 1
R:R:V94 R:R:Y333 6.31 0 No Yes 7 7 2 1
R:R:V95 R:R:W330 3.68 1 No Yes 7 6 2 1
R:R:V95 R:R:Y333 3.79 1 No Yes 7 7 2 1
R:R:F97 R:R:W107 8.02 1 No Yes 4 7 2 2
R:R:F97 R:R:W117 9.02 1 No Yes 4 6 2 1
R:R:G98 R:R:W117 4.22 0 No Yes 6 6 2 1
L:L:?8 R:R:L101 3.68 1 Yes No 0 5 0 1
R:R:V102 R:R:W330 3.68 0 No Yes 5 6 2 1
R:R:W107 R:R:W117 7.5 1 Yes Yes 7 6 2 1
L:L:?8 R:R:W117 7.57 1 Yes Yes 0 6 0 1
R:R:F201 R:R:T118 10.38 1 Yes No 4 6 1 2
R:R:D121 R:R:N329 5.39 1 No Yes 7 6 1 1
R:R:D121 R:R:Y333 12.64 1 No Yes 7 7 1 1
L:L:?8 R:R:D121 13.53 1 Yes No 0 7 0 1
L:L:?8 R:R:V122 11.88 1 Yes No 0 6 0 1
R:R:V125 R:R:W303 11.03 1 No Yes 6 8 2 2
R:R:F307 R:R:V125 3.93 1 Yes No 7 6 1 2
R:R:I177 R:R:W182 5.87 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 4.84 1 Yes Yes 6 7 2 2
R:R:F201 R:R:W182 8.02 1 Yes Yes 4 5 1 2
R:R:T203 R:R:W182 3.64 1 No Yes 4 5 2 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 5.16 1 Yes Yes 4 7 1 2
L:L:?8 R:R:F201 10.53 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 6.99 1 Yes No 0 6 0 1
R:R:F307 R:R:S212 3.96 1 Yes No 7 6 1 2
R:R:F216 R:R:F307 28.94 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:F325 8.57 1 Yes No 7 4 1 2
R:R:F306 R:R:N329 9.67 1 Yes Yes 7 6 1 1
L:L:?8 R:R:F306 5.67 1 Yes Yes 0 7 0 1
L:L:?8 R:R:F307 7.29 1 Yes Yes 0 7 0 1
L:L:?8 R:R:V326 4.95 1 Yes No 0 4 0 1
R:R:N329 R:R:Y333 10.47 1 Yes Yes 6 7 1 1
L:L:?8 R:R:N329 14.6 1 Yes Yes 0 6 0 1
R:R:W330 R:R:Y333 11.58 1 Yes Yes 6 7 1 1
L:L:?8 R:R:W330 6.81 1 Yes Yes 0 6 0 1
L:L:?8 R:R:Y333 7.79 1 Yes Yes 0 7 0 1
R:R:D322 R:R:V326 1.46 0 No No 3 4 2 1
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub7.00
Average Interaction Strength8.44
Average Nodes In Shell31.00
Average Hubs In Shell13.00
Average Links In Shell46.00
Average Links Mediated by Hubs In Shell45.00
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
2Y01 A Amine Adrenergic Beta1 Meleagris gallopavo Dobutamine - - 2.6 2011-03-30 10.1038/nature09746

A 2D representation of the interactions of Y00 in 2Y01
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:M48 R:R:W330 4.65 0 No Yes 6 6 2 1
R:R:V94 R:R:Y333 6.31 0 No Yes 7 7 2 1
R:R:V95 R:R:Y333 3.79 0 No Yes 7 7 2 1
R:R:F97 R:R:W107 7.02 1 No Yes 4 7 2 2
R:R:F97 R:R:W117 8.02 1 No Yes 4 6 2 1
R:R:G98 R:R:W117 4.22 0 No Yes 6 6 2 1
R:R:V102 R:R:W330 3.68 0 No Yes 5 6 2 1
R:R:W107 R:R:W117 9.37 1 Yes Yes 7 6 2 1
L:L:?8 R:R:W117 7.57 1 Yes Yes 0 6 0 1
R:R:F201 R:R:T118 11.67 1 Yes No 4 6 1 2
R:R:D121 R:R:Y333 12.64 1 No Yes 7 7 1 1
L:L:?8 R:R:D121 10.83 1 Yes No 0 7 0 1
L:L:?8 R:R:V122 5.94 1 Yes No 0 6 0 1
R:R:V125 R:R:W303 13.48 1 No Yes 6 8 2 2
R:R:F307 R:R:V125 3.93 1 Yes No 7 6 1 2
R:R:F201 R:R:W182 11.02 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 6.19 1 Yes Yes 4 7 1 2
L:L:?8 R:R:F201 8.91 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 12.72 0 No Yes 6 7 1 2
L:L:?8 R:R:S211 5.99 1 Yes No 0 6 0 1
R:R:F307 R:R:S212 3.96 1 Yes No 7 6 1 2
R:R:N310 R:R:S212 5.96 1 No No 6 6 2 2
R:R:F216 R:R:F307 30.01 0 Yes Yes 7 7 2 1
R:R:F306 R:R:W303 4.01 1 Yes Yes 7 8 1 2
R:R:F307 R:R:W303 8.02 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:N310 3.62 1 Yes No 7 6 1 2
R:R:F306 R:R:F325 8.57 1 Yes Yes 7 4 1 2
R:R:F306 R:R:N329 10.87 1 Yes No 7 6 1 1
L:L:?8 R:R:F306 9.72 1 Yes Yes 0 7 0 1
L:L:?8 R:R:F307 7.29 1 Yes Yes 0 7 0 1
R:R:F325 R:R:N310 3.62 1 Yes No 4 6 2 2
R:R:D322 R:R:V326 4.38 0 No No 3 4 2 1
L:L:?8 R:R:V326 3.96 1 Yes No 0 4 0 1
R:R:N329 R:R:Y333 5.81 1 No Yes 6 7 1 1
L:L:?8 R:R:N329 10.95 1 Yes No 0 6 0 1
R:R:W330 R:R:Y333 14.47 1 Yes Yes 6 7 1 1
L:L:?8 R:R:W330 6.06 1 Yes Yes 0 6 0 1
L:L:?8 R:R:Y333 4.68 1 Yes Yes 0 7 0 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub6.00
Average Interaction Strength7.45
Average Nodes In Shell30.00
Average Hubs In Shell13.00
Average Links In Shell42.00
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
6H7L A Amine Adrenergic Beta1 Meleagris gallopavo Dobutamine - - 2.7 2018-10-17 10.1126/science.aau5595

A 2D representation of the interactions of Y00 in 6H7L
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:M48 R:R:V102 6.09 1 No No 6 5 2 2
R:R:M48 R:R:W330 12.8 1 No Yes 6 6 2 1
R:R:V90 R:R:Y333 3.79 0 No Yes 8 7 2 1
R:R:D121 R:R:V94 7.3 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 3.68 0 No Yes 7 6 2 1
R:R:V95 R:R:Y333 6.31 0 No Yes 7 7 2 1
R:R:F97 R:R:W107 5.01 1 No Yes 4 7 2 2
R:R:F97 R:R:W117 8.02 1 No Yes 4 6 2 1
R:R:G98 R:R:W117 4.22 0 No Yes 6 6 2 1
R:R:L101 R:R:W107 6.83 0 No Yes 5 7 1 2
L:L:?6 R:R:L101 3.68 1 Yes No 0 5 0 1
R:R:V102 R:R:W330 3.68 1 No Yes 5 6 2 1
R:R:W107 R:R:W117 14.99 1 Yes Yes 7 6 2 1
L:L:?6 R:R:W117 9.84 1 Yes Yes 0 6 0 1
R:R:D121 R:R:Y333 11.49 1 No Yes 7 7 1 1
L:L:?6 R:R:D121 16.24 1 Yes No 0 7 0 1
R:R:V122 R:R:Y207 3.79 0 No Yes 6 7 1 2
L:L:?6 R:R:V122 13.86 1 Yes No 0 6 0 1
R:R:V125 R:R:W303 9.81 0 No Yes 6 8 1 2
L:L:?6 R:R:V125 4.95 1 Yes No 0 6 0 1
R:R:S215 R:R:T126 9.59 0 No No 6 6 1 2
R:R:F201 R:R:W182 4.01 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 3.89 1 Yes No 4 4 1 2
R:R:F201 R:R:N310 3.62 1 Yes Yes 4 6 1 1
L:L:?6 R:R:F201 13.76 1 Yes Yes 0 4 0 1
R:R:T203 R:R:Y207 6.24 0 No Yes 4 7 2 2
R:R:S211 R:R:Y207 10.17 0 No Yes 6 7 1 2
L:L:?6 R:R:S211 6.99 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 4.47 1 Yes No 6 6 1 2
L:L:?6 R:R:S215 5.99 1 Yes No 0 6 0 1
R:R:F216 R:R:F307 20.36 0 Yes Yes 7 7 2 1
R:R:F306 R:R:W303 7.02 1 Yes Yes 7 8 1 2
R:R:F307 R:R:W303 8.02 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:N310 7.25 1 Yes Yes 7 6 1 1
R:R:F306 R:R:F325 9.65 1 Yes Yes 7 4 1 2
R:R:F306 R:R:N329 13.29 1 Yes No 7 6 1 1
L:L:?6 R:R:F306 6.48 1 Yes Yes 0 7 0 1
L:L:?6 R:R:F307 8.1 1 Yes Yes 0 7 0 1
R:R:F325 R:R:N310 6.04 1 Yes Yes 4 6 2 1
L:L:?6 R:R:N310 3.65 1 Yes Yes 0 6 0 1
L:L:?6 R:R:V326 6.93 1 Yes No 0 4 0 1
R:R:N329 R:R:Y333 13.96 1 No Yes 6 7 1 1
L:L:?6 R:R:N329 11.87 1 Yes No 0 6 0 1
L:L:?6 R:R:W330 6.81 1 Yes Yes 0 6 0 1
L:L:?6 R:R:Y333 7.79 1 Yes Yes 0 7 0 1
R:R:S211 R:R:V172 1.62 0 No No 6 5 1 2
StatisticsValue
Average Number Of Links15.00
Average Number Of Links With An Hub7.00
Average Interaction Strength8.46
Average Nodes In Shell33.00
Average Hubs In Shell14.00
Average Links In Shell50.00
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
8DCR A Amine Adrenergic Beta1 Meleagris gallopavo Dobutamine - Gs/Beta1/Gamma2 2.6 2022-07-27 10.1038/s41467-022-31823-1

A 2D representation of the interactions of Y00 in 8DCR
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:M48 R:R:W330 22.1 0 No No 6 6 2 1
R:R:D121 R:R:V94 7.3 2 Yes No 7 7 1 2
R:R:V94 R:R:Y333 3.79 2 No Yes 7 7 2 1
R:R:V95 R:R:Y333 3.79 0 No Yes 7 7 2 1
R:R:F97 R:R:W107 3.01 2 Yes Yes 4 7 2 2
R:R:F97 R:R:W117 10.02 2 Yes Yes 4 6 2 1
R:R:G98 R:R:W117 2.81 2 No Yes 6 6 1 1
L:L:?1 R:R:G98 3.41 2 Yes No 0 6 0 1
L:L:?1 R:R:L101 7.36 2 Yes No 0 5 0 1
R:R:V102 R:R:W330 4.9 2 No No 5 6 1 1
L:L:?1 R:R:V102 2.97 2 Yes No 0 5 0 1
R:R:W107 R:R:W117 9.37 2 Yes Yes 7 6 2 1
L:L:?1 R:R:W117 11.36 2 Yes Yes 0 6 0 1
R:R:I177 R:R:T118 3.04 2 Yes No 6 6 2 2
R:R:F201 R:R:T118 3.89 0 No No 4 6 1 2
R:R:D121 R:R:V125 2.92 2 Yes No 7 6 1 1
R:R:D121 R:R:Y333 13.79 2 Yes Yes 7 7 1 1
L:L:?1 R:R:D121 14.43 2 Yes Yes 0 7 0 1
R:R:S173 R:R:V122 3.23 2 No Yes 7 6 2 1
R:R:I177 R:R:V122 3.07 2 Yes Yes 6 6 2 1
R:R:V122 R:R:Y207 3.79 2 Yes Yes 6 7 1 2
L:L:?1 R:R:V122 12.87 2 Yes Yes 0 6 0 1
R:R:V125 R:R:W303 9.81 2 No Yes 6 8 1 2
L:L:?1 R:R:V125 4.95 2 Yes No 0 6 0 1
R:R:S215 R:R:T126 9.59 0 No Yes 6 6 1 2
R:R:I177 R:R:Y207 8.46 2 Yes Yes 6 7 2 2
R:R:F201 R:R:T203 5.19 0 No No 4 4 1 2
L:L:?1 R:R:F201 21.05 2 Yes No 0 4 0 1
R:R:S211 R:R:Y207 10.17 0 No Yes 6 7 1 2
L:L:?1 R:R:S211 4.99 2 Yes No 0 6 0 1
R:R:F307 R:R:S212 5.28 2 Yes No 7 6 1 2
R:R:N310 R:R:S212 5.96 2 Yes No 6 6 1 2
L:L:?1 R:R:S215 4.99 2 Yes No 0 6 0 1
R:R:F216 R:R:W303 4.01 2 Yes Yes 7 8 2 2
R:R:F216 R:R:F307 21.43 2 Yes Yes 7 7 2 1
R:R:F306 R:R:W303 7.02 2 Yes Yes 7 8 1 2
R:R:F307 R:R:W303 8.02 2 Yes Yes 7 8 1 2
R:R:W303 R:R:Y333 2.89 2 Yes Yes 8 7 2 1
R:R:F306 R:R:F307 12.86 2 Yes Yes 7 7 1 1
R:R:F306 R:R:N310 7.25 2 Yes Yes 7 6 1 1
R:R:F306 R:R:F325 8.57 2 Yes Yes 7 4 1 2
R:R:F306 R:R:N329 14.5 2 Yes No 7 6 1 1
L:L:?1 R:R:F306 8.1 2 Yes Yes 0 7 0 1
L:L:?1 R:R:F307 4.05 2 Yes Yes 0 7 0 1
R:R:F325 R:R:N310 8.46 2 Yes Yes 4 6 2 1
L:L:?1 R:R:N310 3.65 2 Yes Yes 0 6 0 1
L:L:?1 R:R:V326 7.92 2 Yes No 0 4 0 1
R:R:N329 R:R:Y333 15.12 2 No Yes 6 7 1 1
L:L:?1 R:R:N329 16.43 2 Yes No 0 6 0 1
L:L:?1 R:R:W330 7.57 2 Yes No 0 6 0 1
L:L:?1 R:R:Y333 8.57 2 Yes Yes 0 7 0 1
StatisticsValue
Average Number Of Links17.00
Average Number Of Links With An Hub7.00
Average Interaction Strength8.51
Average Nodes In Shell33.00
Average Hubs In Shell16.00
Average Links In Shell51.00
Average Links Mediated by Hubs In Shell47.00
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 Links13.75
Average Number Of Links With An Hub6.75
Average Interaction Strength8.21
Average Nodes In Shell31.75
Average Hubs In Shell14.00
Average Links In Shell47.25
Average Links Mediated by Hubs In Shell44.50

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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 🔍)