CodeDZQ
NameOlodaterol
Synonyms868049-49-4
Identifier8-[(1~{R})-2-[[1-(4-methoxyphenyl)-2-methyl-propan-2-yl]amino]-1-oxidanyl-ethyl]-6-oxidanyl-4~{H}-1,4-benzoxazin-3-one
FormulaC21 H26 N2 O5
Molecular Weight386.442
SMILESCC(C)(Cc1ccc(cc1)OC)NC[C@@H](c2cc(cc3c2OCC(=O)N3)O)O
PubChem11504295
Formal Charge0
Total Atoms54
Total Chiral Atoms1
Total Bonds56
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
8JJL A Amine Adrenergic Beta2 Homo sapiens Olodaterol - - 3.2 2023-09-06 10.1038/s41589-023-01389-0

A 2D representation of the interactions of DZQ in 8JJL
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 9.81 1 Yes Yes 7 5 2 1
R:R:D113 R:R:V86 7.3 1 No Yes 7 7 1 2
R:R:V86 R:R:Y316 5.05 1 Yes Yes 7 6 2 2
R:R:F89 R:R:W109 9.02 0 No Yes 5 5 2 1
R:R:G90 R:R:W109 5.63 0 No Yes 7 5 2 1
L:L:?1 R:R:H93 4.58 1 Yes No 0 4 0 1
R:R:W109 R:R:W99 11.25 0 Yes Yes 5 7 1 2
L:L:?1 R:R:W109 4.73 1 Yes Yes 0 5 0 1
R:R:F193 R:R:T110 6.49 0 No No 4 4 1 2
R:R:D113 R:R:Y316 13.79 1 No Yes 7 6 1 2
L:L:?1 R:R:D113 16.92 1 Yes No 0 7 0 1
L:L:?1 R:R:V114 12.38 1 Yes No 0 5 0 1
R:R:V117 R:R:W286 9.81 0 No Yes 6 8 1 2
L:L:?1 R:R:V117 7.96 1 Yes No 0 6 0 1
R:R:F193 R:R:Y174 4.13 0 No Yes 4 5 1 2
R:R:Y174 R:R:Y199 7.94 2 Yes Yes 5 6 2 2
R:R:D192 R:R:F194 13.14 0 No No 3 1 1 2
L:L:?1 R:R:D192 6.45 1 Yes No 0 3 0 1
L:L:?1 R:R:F193 16.63 1 Yes No 0 4 0 1
R:R:S203 R:R:Y199 16.53 0 No Yes 5 6 1 2
L:L:?1 R:R:S203 7.13 1 Yes No 0 5 0 1
R:R:F208 R:R:F290 30.01 0 Yes Yes 8 7 2 1
R:R:F289 R:R:W286 8.02 1 Yes Yes 6 8 1 2
R:R:F290 R:R:W286 7.02 1 Yes Yes 7 8 1 2
R:R:F289 R:R:F290 8.57 1 Yes Yes 6 7 1 1
R:R:F289 R:R:Y308 13.41 1 Yes No 6 5 1 1
R:R:F289 R:R:N312 13.29 1 Yes No 6 5 1 1
L:L:?1 R:R:F289 7.95 1 Yes Yes 0 6 0 1
L:L:?1 R:R:F290 5.78 1 Yes Yes 0 7 0 1
R:R:N293 R:R:Y308 5.81 1 No No 5 5 1 1
L:L:?1 R:R:N293 7.34 1 Yes No 0 5 0 1
L:L:?1 R:R:Y308 6.26 1 Yes No 0 5 0 1
R:R:N312 R:R:Y316 10.47 1 No Yes 5 6 1 2
L:L:?1 R:R:N312 11.41 1 Yes No 0 5 0 1
L:L:?1 R:R:I309 3.39 1 Yes No 0 3 0 1
R:R:C190 R:R:D192 1.56 0 No No 3 3 2 1
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub3.00
Average Interaction Strength8.49
Average Nodes In Shell27.00
Average Hubs In Shell11.00
Average Links In Shell36.00
Average Links Mediated by Hubs In Shell32.00
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 Hub3.00
Average Interaction Strength8.49
Average Nodes In Shell27.00
Average Hubs In Shell11.00
Average Links In Shell36.00
Average Links Mediated by Hubs In Shell32.00

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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 🔍)