CodeK5Y
Namesalmeterol
Synonyms2-(hydroxymethyl)-4-[(1R)-1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl]phenol
Identifier2-(hydroxymethyl)-4-[(1~{R})-1-oxidanyl-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol
FormulaC25 H37 N O4
Molecular Weight415.566
SMILESc1ccc(cc1)CCCCOCCCCCCNC[C@@H](c2ccc(c(c2)CO)O)O
PubChem6604001
Formal Charge0
Total Atoms67
Total Chiral Atoms1
Total Bonds68
Total Aromatic Bonds12
Networks1
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This ligand is also present in the following network:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
6MXT A Amine Adrenergic Beta2 Homo sapiens Salmeterol - - 2.96 2018-11-14 10.1038/s41589-018-0145-x

A 2D representation of the interactions of K5Y in 6MXT
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 7.3 1 No No 7 7 1 2
R:R:V86 R:R:Y316 5.05 1 No Yes 7 6 2 2
R:R:F193 R:R:T110 3.89 0 No No 4 4 1 2
R:R:D113 R:R:Y316 10.34 1 No Yes 7 6 1 2
L:L:?401 R:R:D113 16.64 1 Yes No 0 7 0 1
R:R:V114 R:R:Y199 3.79 0 No Yes 5 6 1 2
L:L:?401 R:R:V114 8.7 1 Yes No 0 5 0 1
R:R:V117 R:R:W286 8.58 0 No Yes 6 8 1 2
L:L:?401 R:R:V117 6.09 1 Yes No 0 6 0 1
R:R:S207 R:R:T118 6.4 0 No Yes 5 6 1 2
R:R:C184 R:R:C190 7.28 1 No No 1 3 2 2
R:R:C184 R:R:D192 4.67 1 No Yes 1 3 2 1
R:R:C184 R:R:F194 5.59 1 No Yes 1 1 2 2
R:R:C190 R:R:D192 4.67 1 No Yes 3 3 2 1
R:R:D192 R:R:F194 5.97 1 Yes Yes 3 1 1 2
R:R:D192 R:R:K305 4.15 1 Yes No 3 2 1 2
L:L:?401 R:R:D192 7.13 1 Yes Yes 0 3 0 1
R:R:F193 R:R:T195 7.78 0 No No 4 3 1 2
L:L:?401 R:R:F193 12.09 1 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 12.72 0 No Yes 5 6 1 2
L:L:?401 R:R:S203 7.89 1 Yes No 0 5 0 1
R:R:F290 R:R:S204 5.28 1 Yes No 7 5 1 2
R:R:N293 R:R:S204 5.96 1 Yes No 5 5 1 2
R:R:F208 R:R:F290 20.36 1 Yes Yes 8 7 2 1
R:R:F289 R:R:W286 7.02 1 Yes Yes 6 8 1 2
R:R:F290 R:R:W286 5.01 1 Yes Yes 7 8 1 2
R:R:F289 R:R:F290 12.86 1 Yes Yes 6 7 1 1
R:R:F289 R:R:Y308 12.38 1 Yes No 6 5 1 1
R:R:F289 R:R:N312 15.71 1 Yes No 6 5 1 1
L:L:?401 R:R:F289 4.98 1 Yes Yes 0 6 0 1
L:L:?401 R:R:F290 6.4 1 Yes Yes 0 7 0 1
R:R:H296 R:R:N293 5.1 1 Yes Yes 3 5 1 1
R:R:N293 R:R:Y308 5.81 1 Yes No 5 5 1 1
L:L:?401 R:R:N293 4.81 1 Yes Yes 0 5 0 1
R:R:H296 R:R:V297 8.3 1 Yes No 3 5 1 2
R:R:H296 R:R:I303 3.98 1 Yes No 3 3 1 2
L:L:?401 R:R:H296 7.51 1 Yes Yes 0 3 0 1
R:R:I309 R:R:K305 4.36 0 No No 3 2 1 2
L:L:?401 R:R:Y308 10.27 1 Yes No 0 5 0 1
L:L:?401 R:R:I309 5 1 Yes No 0 3 0 1
R:R:N312 R:R:Y316 9.3 1 No Yes 5 6 1 2
L:L:?401 R:R:N312 10.42 1 Yes No 0 5 0 1
L:L:?401 R:R:S207 3.51 1 Yes No 0 5 0 1
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub5.00
Average Interaction Strength7.96
Average Nodes In Shell30.00
Average Hubs In Shell12.00
Average Links In Shell44.00
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 Links14.00
Average Number Of Links With An Hub5.00
Average Interaction Strength7.96
Average Nodes In Shell30.00
Average Hubs In Shell12.00
Average Links In Shell44.00
Average Links Mediated by Hubs In Shell39.00

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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 🔍)