Code35V
Name4-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethyl}amino)ethyl]benzene-1,2-diol
Synonyms
Identifier4-[(1R)-2-[2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethylamino]-1-oxidanyl-ethyl]benzene-1,2-diol
FormulaC19 H25 N O5 S
Molecular Weight379.471
SMILESCOc1cc(ccc1OCCS)CCNC[C@@H](c2ccc(c(c2)O)O)O
PubChem76210628
Formal Charge0
Total Atoms51
Total Chiral Atoms1
Total Bonds52
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
4QKX A Amine Adrenergic Beta2 Homo sapiens PubChem 76210628 - - 3.3 2014-07-23 10.1073/pnas.1410415111

A 2D representation of the interactions of 35V in 4QKX
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:V86 6.09 1 No No 7 7 2 2
R:R:M82 R:R:Y316 7.18 1 No Yes 7 6 2 1
R:R:D113 R:R:V86 7.3 1 No No 7 7 1 2
R:R:V86 R:R:Y316 3.79 1 No Yes 7 6 2 1
R:R:F89 R:R:W99 4.01 1 No Yes 5 7 2 2
R:R:F89 R:R:W109 6.01 1 No Yes 5 5 2 1
R:R:G90 R:R:W109 4.22 0 No Yes 7 5 2 1
L:L:?1 R:R:C93 7.33 1 Yes No 0 4 0 1
R:R:W109 R:R:W99 9.37 1 Yes Yes 5 7 1 2
L:L:?1 R:R:W109 12.02 1 Yes Yes 0 5 0 1
R:R:D113 R:R:Y316 10.34 1 No Yes 7 6 1 1
L:L:?1 R:R:D113 17.01 1 Yes No 0 7 0 1
R:R:V114 R:R:Y199 3.79 0 No Yes 5 6 1 2
L:L:?1 R:R:V114 12.78 1 Yes No 0 5 0 1
R:R:V117 R:R:W286 8.58 0 No Yes 6 8 1 2
L:L:?1 R:R:V117 5.9 1 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 6.49 0 No No 4 3 1 2
L:L:?1 R:R:F193 9.64 1 Yes No 0 4 0 1
R:R:T195 R:R:Y199 4.99 2 No Yes 3 6 2 2
R:R:S203 R:R:Y199 6.36 0 No Yes 5 6 1 2
L:L:?1 R:R:S203 6.93 1 Yes No 0 5 0 1
L:L:?1 R:R:S207 4.95 1 Yes No 0 5 0 1
R:R:F289 R:R:W286 6.01 1 Yes Yes 6 8 1 2
R:R:F290 R:R:W286 10.02 1 Yes Yes 7 8 2 2
R:R:F289 R:R:F290 12.86 1 Yes Yes 6 7 1 2
R:R:F289 R:R:N293 7.25 1 Yes No 6 5 1 2
R:R:F289 R:R:Y308 6.19 1 Yes No 6 5 1 2
R:R:F289 R:R:N312 13.29 1 Yes No 6 5 1 1
L:L:?1 R:R:F289 4.82 1 Yes Yes 0 6 0 1
R:R:N293 R:R:Y308 6.98 1 No No 5 5 2 2
R:R:N312 R:R:Y316 11.63 1 No Yes 5 6 1 1
L:L:?1 R:R:N312 12.68 1 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 6.96 1 Yes Yes 0 6 0 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub3.00
Average Interaction Strength9.18
Average Nodes In Shell25.00
Average Hubs In Shell10.00
Average Links In Shell35.00
Average Links Mediated by Hubs In Shell31.00
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 Hub3.00
Average Interaction Strength9.18
Average Nodes In Shell25.00
Average Hubs In Shell10.00
Average Links In Shell35.00
Average Links Mediated by Hubs In Shell31.00

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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 🔍)