CodeWHJ
NameCarmoterol
Synonyms
  • Carmoterol
  • Quinoterol
Identifier8-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]-1H-quinolin-2-one
FormulaC21 H24 N2 O4
Molecular Weight368.426
SMILESC[C@H](Cc1ccc(cc1)OC)NC[C@@H](c2ccc(c3c2C=CC(=O)N3)O)O
PubChem86306667
Formal Charge0
Total Atoms51
Total Chiral Atoms2
Total Bonds53
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
2Y02 A Amine Adrenergic Beta1 Meleagris gallopavo Carmoterol - - 2.6 2011-01-12 10.1038/nature09746

A 2D representation of the interactions of WHJ in 2Y02
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 Yes 7 7 1 2
R:R:V94 R:R:Y333 6.31 1 Yes Yes 7 7 2 2
R:R:F97 R:R:W107 8.02 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 5.63 0 No Yes 6 6 2 1
R:R:W107 R:R:W117 10.31 1 Yes Yes 7 6 2 1
R:R:W117 R:R:Y333 3.86 1 Yes Yes 6 7 1 2
L:L:?8 R:R:W117 5.89 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 7.78 1 Yes No 4 6 1 2
R:R:D121 R:R:Y333 10.34 1 No Yes 7 7 1 2
L:L:?8 R:R:D121 17.54 1 Yes No 0 7 0 1
L:L:?8 R:R:V122 10.59 1 Yes No 0 6 0 1
R:R:S215 R:R:T126 6.4 0 No No 6 6 1 2
R:R:I177 R:R:W182 7.05 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 15.03 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:C198 R:R:D200 6.22 0 No No 5 5 2 1
L:L:?8 R:R:D200 7.02 1 Yes No 0 5 0 1
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 8.66 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 11.45 0 No Yes 6 7 1 2
L:L:?8 R:R:S211 7.76 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 Yes No 6 6 1 2
L:L:?8 R:R:S215 3.88 1 Yes No 0 6 0 1
R:R:F216 R:R:F307 30.01 0 Yes Yes 7 7 2 1
R:R:F307 R:R:W303 7.02 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 Yes 7 6 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 No 7 6 1 1
L:L:?8 R:R:F306 7.87 1 Yes Yes 0 7 0 1
L:L:?8 R:R:F307 8.66 1 Yes Yes 0 7 0 1
L:L:?8 R:R:N310 8.87 1 Yes Yes 0 6 0 1
R:R:N329 R:R:Y333 3.49 1 No Yes 6 7 1 2
L:L:?8 R:R:N329 14.2 1 Yes No 0 6 0 1
R:R:A208 R:R:N310 3.13 0 No Yes 6 6 2 1
R:R:S215 R:R:V172 1.62 0 No No 6 5 1 2
R:R:D200 R:R:V202 1.46 0 No No 5 4 1 2
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub5.00
Average Interaction Strength9.18
Average Nodes In Shell31.00
Average Hubs In Shell14.00
Average Links In Shell45.00
Average Links Mediated by Hubs In Shell41.00
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 Links11.00
Average Number Of Links With An Hub5.00
Average Interaction Strength9.18
Average Nodes In Shell31.00
Average Hubs In Shell14.00
Average Links In Shell45.00
Average Links Mediated by Hubs In Shell41.00

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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 🔍)