CodeH98
NameArformoterol
Synonyms
  • (R,R)-formoterol
  • (-)-formoterol
  • Arformoterol tartrate
  • Arformoterol
Identifier~{N}-[5-[(1~{R})-2-[[(2~{R})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide
FormulaC19 H24 N2 O4
Molecular Weight344.405
SMILESC[C@H](Cc1ccc(cc1)OC)NC[C@@H](c2ccc(c(c2)NC=O)O)O
PubChem3083544
Formal Charge0
Total Atoms49
Total Chiral Atoms2
Total Bonds50
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
6IBL A Amine Adrenergic Beta1 Meleagris gallopavo Arformoterol - - 2.7 2019-01-09 10.1038/s41586-020-2419-1

A 2D representation of the interactions of H98 in 6IBL
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 7.3 1 No No 7 7 1 2
R:R:V95 R:R:Y333 5.05 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:W107 R:R:W117 9.37 1 Yes Yes 7 6 2 1
L:L:?1 R:R:W117 4.5 1 Yes Yes 0 6 0 1
R:R:D121 R:R:Y333 10.34 1 No Yes 7 7 1 1
L:L:?1 R:R:D121 19.66 1 Yes No 0 7 0 1
L:L:?1 R:R:V122 12.75 1 Yes No 0 6 0 1
R:R:V125 R:R:W303 9.81 0 No Yes 6 8 1 2
L:L:?1 R:R:V125 6.87 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 0 No Yes 4 5 1 2
R:R:W182 R:R:Y207 5.79 3 Yes Yes 5 7 2 2
R:R:C192 R:R:C198 7.28 1 No No 4 5 2 2
R:R:C192 R:R:D200 4.67 1 No No 4 5 2 1
R:R:C198 R:R:D200 6.22 1 No No 5 5 2 1
L:L:?1 R:R:D200 4.47 1 Yes No 0 5 0 1
R:R:F201 R:R:T203 5.19 0 No No 4 4 1 2
L:L:?1 R:R:F201 20.05 1 Yes No 0 4 0 1
R:R:T203 R:R:Y207 4.99 0 No Yes 4 7 2 2
R:R:S211 R:R:Y207 11.45 0 No Yes 6 7 1 2
L:L:?1 R:R:S211 10.87 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 1 2
L:L:?1 R:R:S215 5.93 1 Yes No 0 6 0 1
R:R:F216 R:R:F307 20.36 1 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 10.02 1 Yes Yes 7 8 1 2
R:R:F306 R:R:F307 10.72 1 Yes Yes 7 7 1 1
R:R:F306 R:R:F325 6.43 1 Yes Yes 7 4 1 2
R:R:F306 R:R:N329 15.71 1 Yes No 7 6 1 1
L:L:?1 R:R:F306 5.61 1 Yes Yes 0 7 0 1
L:L:?1 R:R:F307 8.82 1 Yes Yes 0 7 0 1
R:R:F325 R:R:N310 4.83 0 Yes No 4 6 2 1
L:L:?1 R:R:N310 6.33 1 Yes No 0 6 0 1
R:R:N329 R:R:Y333 15.12 1 No Yes 6 7 1 1
L:L:?1 R:R:N329 16.27 1 Yes No 0 6 0 1
R:R:W330 R:R:Y333 6.75 0 No Yes 6 7 2 1
L:L:?1 R:R:Y333 4.63 1 Yes Yes 0 7 0 1
L:L:?1 R:R:V326 2.94 1 Yes No 0 4 0 1
L:L:?1 R:R:D322 1.79 1 Yes No 0 3 0 1
StatisticsValue
Average Number Of Links15.00
Average Number Of Links With An Hub4.00
Average Interaction Strength8.77
Average Nodes In Shell32.00
Average Hubs In Shell11.00
Average Links In Shell43.00
Average Links Mediated by Hubs In Shell36.00
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
6TKO A Amine Adrenergic Beta1 Meleagris gallopavo Arformoterol - Arrestin2 3.3 2020-06-17 10.1038/s41586-020-2419-1

A 2D representation of the interactions of H98 in 6TKO
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:F97 R:R:W107 4.01 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:V102 R:R:V326 6.41 0 No No 5 4 2 1
R:R:W107 R:R:W117 19.68 1 Yes Yes 7 6 2 1
R:R:T118 R:R:W117 4.85 0 No Yes 6 6 2 1
L:L:?1 R:R:W117 5.25 1 Yes Yes 0 6 0 1
R:R:D121 R:R:Y333 10.34 1 No Yes 7 7 1 1
L:L:?1 R:R:D121 14.3 1 Yes No 0 7 0 1
L:L:?1 R:R:V122 6.87 1 Yes No 0 6 0 1
R:R:V125 R:R:W303 8.58 0 No Yes 6 8 1 2
L:L:?1 R:R:V125 6.87 1 Yes No 0 6 0 1
R:R:S215 R:R:T126 4.8 1 Yes No 6 6 1 2
R:R:C192 R:R:C198 7.28 1 No No 4 5 2 2
R:R:C192 R:R:D200 4.67 1 No No 4 5 2 1
R:R:C198 R:R:D200 6.22 1 No No 5 5 2 1
L:L:?1 R:R:D200 8.04 1 Yes No 0 5 0 1
R:R:F201 R:R:T203 6.49 0 No No 4 4 1 2
L:L:?1 R:R:F201 23.25 1 Yes No 0 4 0 1
R:R:T203 R:R:Y207 4.99 0 No Yes 4 7 2 2
R:R:S211 R:R:Y207 5.09 0 No Yes 6 7 1 2
L:L:?1 R:R:S211 7.91 1 Yes No 0 6 0 1
R:R:F307 R:R:S215 3.96 1 Yes Yes 7 6 1 1
L:L:?1 R:R:S215 3.95 1 Yes Yes 0 6 0 1
R:R:F216 R:R:W303 4.01 1 Yes Yes 7 8 2 2
R:R:F216 R:R:F307 27.86 1 Yes Yes 7 7 2 1
R:R:F307 R:R:W303 5.01 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 8.57 1 Yes No 7 4 1 2
R:R:F306 R:R:N329 14.5 1 Yes No 7 6 1 1
L:L:?1 R:R:F306 11.23 1 Yes Yes 0 7 0 1
L:L:?1 R:R:F307 5.61 1 Yes Yes 0 7 0 1
R:R:F325 R:R:N310 7.25 0 No No 4 6 2 1
L:L:?1 R:R:N310 5.42 1 Yes No 0 6 0 1
L:L:?1 R:R:V326 4.9 1 Yes No 0 4 0 1
R:R:N329 R:R:Y333 13.96 1 No Yes 6 7 1 1
L:L:?1 R:R:N329 15.37 1 Yes No 0 6 0 1
L:L:?1 R:R:Y333 6.95 1 Yes Yes 0 7 0 1
R:R:S173 R:R:V122 3.23 0 No No 7 6 2 1
R:R:W330 R:R:Y333 2.89 0 No Yes 6 7 2 1
R:R:I214 R:R:S215 1.55 0 No Yes 4 6 2 1
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub5.00
Average Interaction Strength8.99
Average Nodes In Shell32.00
Average Hubs In Shell10.00
Average Links In Shell42.00
Average Links Mediated by Hubs In Shell34.00
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
7BZ2 A Amine Adrenergic Beta2 Homo sapiens Arformoterol - Gs/Beta1/Gamma2 3.82 2020-08-05 10.1038/s41421-020-0176-9

A 2D representation of the interactions of H98 in 7BZ2
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:M82 R:R:V117 4.56 0 No No 7 6 2 1
R:R:V86 R:R:W109 6.13 2 No Yes 7 5 2 1
R:R:D113 R:R:V86 16.07 2 No No 7 7 1 2
R:R:V86 R:R:Y316 3.79 2 No Yes 7 6 2 1
R:R:V87 R:R:Y316 3.79 0 Yes Yes 7 6 2 1
R:R:F89 R:R:W109 7.02 0 No Yes 5 5 2 1
R:R:C191 R:R:H93 7.37 0 No No 9 4 2 1
L:L:?1 R:R:H93 5.08 2 Yes No 0 4 0 1
R:R:T110 R:R:W109 3.64 0 No Yes 4 5 2 1
L:L:?1 R:R:W109 5.25 2 Yes Yes 0 5 0 1
R:R:D113 R:R:Y316 12.64 2 No Yes 7 6 1 1
L:L:?1 R:R:D113 4.47 2 Yes No 0 7 0 1
R:R:S165 R:R:V114 9.7 0 No No 7 5 2 1
L:L:?1 R:R:V114 7.85 2 Yes No 0 5 0 1
L:L:?1 R:R:V117 6.87 2 Yes No 0 6 0 1
R:R:S165 R:R:T118 3.2 0 No No 7 6 2 2
R:R:S207 R:R:T118 6.4 0 No No 5 6 1 2
R:R:F193 R:R:T195 6.49 0 No No 4 3 1 2
L:L:?1 R:R:F193 10.42 2 Yes No 0 4 0 1
L:L:?1 R:R:S203 7.91 2 Yes No 0 5 0 1
L:L:?1 R:R:S207 4.94 2 Yes No 0 5 0 1
R:R:F208 R:R:W286 4.01 2 Yes Yes 8 8 2 2
R:R:F208 R:R:F290 12.86 2 Yes Yes 8 7 2 1
R:R:F289 R:R:W286 3.01 2 Yes Yes 6 8 2 2
R:R:F290 R:R:W286 5.01 2 Yes Yes 7 8 1 2
R:R:W286 R:R:Y316 2.89 2 Yes Yes 8 6 2 1
R:R:F289 R:R:F290 6.43 2 Yes Yes 6 7 2 1
R:R:F289 R:R:N293 8.46 2 Yes No 6 5 2 2
R:R:F289 R:R:Y308 5.16 2 Yes Yes 6 5 2 1
R:R:F289 R:R:N312 13.29 2 Yes No 6 5 2 1
L:L:?1 R:R:F290 6.42 2 Yes Yes 0 7 0 1
R:R:N293 R:R:Y308 8.14 2 No Yes 5 5 2 1
L:L:?1 R:R:Y308 3.09 2 Yes Yes 0 5 0 1
R:R:N312 R:R:Y316 15.12 2 No Yes 5 6 1 1
L:L:?1 R:R:N312 10.85 2 Yes No 0 5 0 1
L:L:?1 R:R:Y316 6.17 2 Yes Yes 0 6 0 1
R:R:V292 R:R:Y308 2.52 0 No Yes 5 5 2 1
R:R:G90 R:R:H93 1.59 0 No No 7 4 2 1
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub4.00
Average Interaction Strength6.61
Average Nodes In Shell28.00
Average Hubs In Shell9.00
Average Links In Shell38.00
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
8JJ8 A Amine Adrenergic Beta2 Homo sapiens Formoterol - - 3.2 2023-09-06 10.1038/s41589-023-01389-0

A 2D representation of the interactions of H98 in 8JJ8
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:V86 R:R:W109 4.9 2 Yes Yes 7 5 2 1
R:R:D113 R:R:V86 11.69 2 No Yes 7 7 1 2
R:R:V86 R:R:Y316 5.05 2 Yes Yes 7 6 2 1
R:R:G90 R:R:W109 4.22 0 No Yes 7 5 2 1
L:L:?1 R:R:W109 5.25 2 Yes Yes 0 5 0 1
R:R:F193 R:R:T110 5.19 0 No No 4 4 1 2
R:R:D113 R:R:Y316 12.64 2 No Yes 7 6 1 1
L:L:?1 R:R:D113 16.98 2 Yes No 0 7 0 1
R:R:S165 R:R:V114 3.23 1 No No 7 5 2 1
L:L:?1 R:R:V114 6.87 2 Yes No 0 5 0 1
R:R:I121 R:R:V117 3.07 0 No No 7 6 2 1
R:R:V117 R:R:W286 9.81 0 No Yes 6 8 1 2
L:L:?1 R:R:V117 6.87 2 Yes No 0 6 0 1
R:R:S207 R:R:T118 9.59 0 No Yes 5 6 1 2
R:R:F193 R:R:T195 5.19 0 No Yes 4 3 1 2
L:L:?1 R:R:F193 22.45 2 Yes No 0 4 0 1
L:L:?1 R:R:S203 10.87 2 Yes No 0 5 0 1
R:R:S204 R:R:Y209 3.82 2 Yes Yes 5 5 2 2
R:R:F290 R:R:S204 5.28 2 Yes Yes 7 5 1 2
R:R:N293 R:R:S204 4.47 2 No Yes 5 5 1 2
L:L:?1 R:R:S207 4.94 2 Yes No 0 5 0 1
R:R:F208 R:R:Y209 7.22 2 Yes Yes 8 5 2 2
R:R:F208 R:R:W286 3.01 2 Yes Yes 8 8 2 2
R:R:F208 R:R:F290 21.43 2 Yes Yes 8 7 2 1
R:R:F290 R:R:Y209 3.09 2 Yes Yes 7 5 1 2
R:R:F289 R:R:W286 7.02 2 Yes Yes 6 8 1 2
R:R:F290 R:R:W286 5.01 2 Yes Yes 7 8 1 2
R:R:F289 R:R:F290 7.5 2 Yes Yes 6 7 1 1
R:R:F289 R:R:Y308 9.28 2 Yes Yes 6 5 1 1
R:R:F289 R:R:N312 9.67 2 Yes No 6 5 1 1
L:L:?1 R:R:F289 6.42 2 Yes Yes 0 6 0 1
L:L:?1 R:R:F290 4.81 2 Yes Yes 0 7 0 1
R:R:N293 R:R:Y308 9.3 2 No Yes 5 5 1 1
L:L:?1 R:R:N293 5.42 2 Yes No 0 5 0 1
R:R:H296 R:R:Y308 8.71 0 No Yes 3 5 2 1
R:R:I309 R:R:K305 5.82 0 No No 3 2 1 2
L:L:?1 R:R:Y308 3.09 2 Yes Yes 0 5 0 1
R:R:N312 R:R:Y316 12.79 2 No Yes 5 6 1 1
L:L:?1 R:R:N312 11.75 2 Yes No 0 5 0 1
R:R:W313 R:R:Y316 11.58 0 Yes Yes 5 6 2 1
L:L:?1 R:R:Y316 4.63 2 Yes Yes 0 6 0 1
L:L:?1 R:R:I309 2.82 2 Yes No 0 3 0 1
R:R:W109 R:R:W99 2.81 0 Yes Yes 5 7 1 2
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub5.00
Average Interaction Strength8.08
Average Nodes In Shell30.00
Average Hubs In Shell15.00
Average Links In Shell43.00
Average Links Mediated by Hubs In Shell39.00
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 Hub4.50
Average Interaction Strength8.11
Average Nodes In Shell30.50
Average Hubs In Shell11.25
Average Links In Shell41.50
Average Links Mediated by Hubs In Shell34.75

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 🔍)