CodeJTZ
Name(2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol
Synonyms
Identifier(2S)-1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
FormulaC15 H23 N O2
Molecular Weight249.349
SMILESCC(C)NC[C@@H](COc1ccccc1CC=C)O
PubChem204665
Formal Charge0
Total Atoms41
Total Chiral Atoms1
Total Bonds41
Total Aromatic Bonds6
Networks5
 missing image

This ligand is also present in the following 5 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
3NYA A Amine Adrenergic Beta2 Homo sapiens (S)-Alprenolol - - 3.16 2010-08-11 10.1021/ja105108q

A 2D representation of the interactions of JTZ in 3NYA
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 9.13 1 Yes No 7 7 2 2
R:R:D113 R:R:M82 4.16 1 Yes Yes 7 7 1 2
R:R:M82 R:R:Y316 4.79 1 Yes Yes 7 6 2 1
R:R:D113 R:R:V86 13.15 1 Yes No 7 7 1 2
R:R:V86 R:R:Y316 6.31 1 No Yes 7 6 2 1
R:R:V87 R:R:Y316 3.79 0 No Yes 7 6 2 1
R:R:F193 R:R:T110 3.89 0 Yes No 4 4 1 2
R:R:D113 R:R:Y316 10.34 1 Yes Yes 7 6 1 1
L:L:?3 R:R:D113 19.41 1 Yes Yes 0 7 0 1
R:R:S165 R:R:V114 4.85 0 Yes No 7 5 2 1
L:L:?3 R:R:V114 12.34 1 Yes No 0 5 0 1
R:R:V117 R:R:W286 12.26 1 No Yes 6 8 1 1
L:L:?3 R:R:V117 8.97 1 Yes No 0 6 0 1
R:R:S207 R:R:T118 6.4 0 No No 5 6 1 2
R:R:F193 R:R:T195 7.78 0 Yes Yes 4 3 1 2
R:R:F193 R:R:Y308 4.13 0 Yes No 4 5 1 2
L:L:?3 R:R:F193 5.5 1 Yes Yes 0 4 0 1
R:R:S203 R:R:S207 4.89 0 No No 5 5 2 1
L:L:?3 R:R:S207 5.65 1 Yes No 0 5 0 1
R:R:F208 R:R:F282 5.36 1 Yes Yes 8 9 2 2
R:R:F208 R:R:F290 26.79 1 Yes Yes 8 7 2 1
R:R:F282 R:R:W286 12.03 1 Yes Yes 9 8 2 1
R:R:F282 R:R:N318 6.04 1 Yes Yes 9 9 2 2
R:R:F289 R:R:W286 5.01 1 Yes Yes 6 8 1 1
R:R:F290 R:R:W286 8.02 1 Yes Yes 7 8 1 1
R:R:G315 R:R:W286 12.67 0 No Yes 7 8 2 1
R:R:N318 R:R:W286 4.52 1 Yes Yes 9 8 2 1
L:L:?3 R:R:W286 4.29 1 Yes Yes 0 8 0 1
R:R:F289 R:R:F290 12.86 1 Yes Yes 6 7 1 1
R:R:F289 R:R:Y308 8.25 1 Yes No 6 5 1 2
R:R:F289 R:R:N312 10.87 1 Yes No 6 5 1 1
L:L:?3 R:R:F289 7.33 1 Yes Yes 0 6 0 1
L:L:?3 R:R:F290 11.92 1 Yes Yes 0 7 0 1
R:R:N293 R:R:Y308 5.81 0 No No 5 5 1 2
L:L:?3 R:R:N293 4.13 1 Yes No 0 5 0 1
R:R:N312 R:R:Y316 15.12 1 No Yes 5 6 1 1
L:L:?3 R:R:N312 13.44 1 Yes No 0 5 0 1
R:R:W313 R:R:Y316 15.43 1 No Yes 5 6 2 1
L:L:?3 R:R:Y316 6.18 1 Yes Yes 0 6 0 1
R:R:F290 R:R:S204 2.64 1 Yes No 7 5 1 2
R:R:F289 R:R:L311 2.44 1 Yes Yes 6 5 1 2
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub6.00
Average Interaction Strength9.01
Average Nodes In Shell28.00
Average Hubs In Shell14.00
Average Links In Shell41.00
Average Links Mediated by Hubs In Shell38.00
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
6OBA A Amine Adrenergic Beta2 Homo sapiens (S)-Alprenolol GTPL11074 - 3.1 2020-03-25 10.1038/s41589-020-0549-2

A 2D representation of the interactions of JTZ in 6OBA
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 0 No No 7 7 1 2
R:R:F89 R:R:W105 22.05 1 No Yes 5 5 2 2
R:R:F89 R:R:W109 5.01 1 No Yes 5 5 2 1
R:R:G90 R:R:W109 5.63 0 No Yes 7 5 2 1
R:R:W105 R:R:W99 5.62 1 Yes Yes 5 7 2 2
R:R:W109 R:R:W99 14.99 1 Yes Yes 5 7 1 2
R:R:W105 R:R:W109 4.69 1 Yes Yes 5 5 2 1
R:R:F193 R:R:T110 5.19 0 Yes No 4 4 1 2
R:R:D113 R:R:Y316 11.49 0 No Yes 7 6 1 2
L:L:?3 R:R:D113 20.43 1 Yes No 0 7 0 1
R:R:S165 R:R:V114 6.46 0 No No 7 5 2 1
L:L:?3 R:R:V114 10.09 1 Yes No 0 5 0 1
R:R:V117 R:R:W286 12.26 0 No Yes 6 8 1 2
L:L:?3 R:R:V117 7.85 1 Yes No 0 6 0 1
R:R:F193 R:R:T195 6.49 0 Yes Yes 4 3 1 2
R:R:F193 R:R:Y308 4.13 0 Yes Yes 4 5 1 2
L:L:?3 R:R:F193 7.33 1 Yes Yes 0 4 0 1
R:R:T195 R:R:Y199 9.99 7 Yes Yes 3 6 2 2
R:R:S203 R:R:Y199 13.99 0 No Yes 5 6 1 2
L:L:?3 R:R:S203 6.78 1 Yes No 0 5 0 1
R:R:F208 R:R:F290 37.51 0 No Yes 8 7 2 1
R:R:F290 R:R:W286 6.01 1 Yes Yes 7 8 1 2
R:R:N312 R:R:W286 4.52 1 Yes Yes 5 8 1 2
R:R:F289 R:R:F290 5.36 1 Yes Yes 6 7 1 1
R:R:F289 R:R:N293 12.08 1 Yes No 6 5 1 2
R:R:F289 R:R:Y308 10.32 1 Yes Yes 6 5 1 2
R:R:F289 R:R:N312 14.5 1 Yes Yes 6 5 1 1
L:L:?3 R:R:F289 6.42 1 Yes Yes 0 6 0 1
L:L:?3 R:R:F290 12.84 1 Yes Yes 0 7 0 1
R:R:N293 R:R:Y308 6.98 1 No Yes 5 5 2 2
R:R:N312 R:R:Y316 11.63 1 Yes Yes 5 6 1 2
L:L:?3 R:R:N312 14.47 1 Yes Yes 0 5 0 1
R:R:F290 R:R:S204 3.96 1 Yes No 7 5 1 2
L:L:?3 R:R:W109 3.43 1 Yes Yes 0 5 0 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub5.00
Average Interaction Strength9.96
Average Nodes In Shell25.00
Average Hubs In Shell13.00
Average Links In Shell34.00
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 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
6PRZ A Amine Adrenergic Beta2 Homo sapiens (S)-Alprenolol - - 2.8 2019-11-13 10.1107/S2052252519013137

A 2D representation of the interactions of JTZ in 6PRZ
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 0 Yes No 7 7 2 2
R:R:M82 R:R:Y316 5.99 0 Yes Yes 7 6 2 1
R:R:V86 R:R:W109 4.9 0 No Yes 7 5 2 1
R:R:D113 R:R:V86 7.3 1 No No 7 7 1 2
R:R:F89 R:R:W105 20.04 1 No Yes 5 5 2 2
R:R:F89 R:R:W109 7.02 1 No Yes 5 5 2 1
R:R:W105 R:R:W99 5.62 1 Yes Yes 5 7 2 2
R:R:W109 R:R:W99 13.12 1 Yes Yes 5 7 1 2
R:R:W105 R:R:W109 7.5 1 Yes Yes 5 5 2 1
L:L:?1 R:R:W109 4.29 1 Yes Yes 0 5 0 1
R:R:D113 R:R:Y316 9.2 1 No Yes 7 6 1 1
L:L:?1 R:R:D113 19.41 1 Yes No 0 7 0 1
L:L:?1 R:R:V114 11.21 1 Yes No 0 5 0 1
R:R:S207 R:R:T118 9.59 0 No No 5 6 1 2
R:R:F193 R:R:T195 7.78 0 Yes No 4 3 1 2
R:R:F193 R:R:Y308 5.16 0 Yes No 4 5 1 2
L:L:?1 R:R:F193 8.25 1 Yes Yes 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 7.91 1 Yes No 0 5 0 1
L:L:?1 R:R:S207 4.52 1 Yes No 0 5 0 1
R:R:F208 R:R:F290 32.15 0 Yes Yes 8 7 2 1
R:R:F290 R:R:W286 7.02 1 Yes Yes 7 8 1 2
R:R:F289 R:R:F290 7.5 1 Yes Yes 6 7 1 1
R:R:F289 R:R:Y308 8.25 1 Yes No 6 5 1 2
R:R:F289 R:R:N312 12.08 1 Yes No 6 5 1 1
L:L:?1 R:R:F289 8.25 1 Yes Yes 0 6 0 1
L:L:?1 R:R:F290 12.84 1 Yes Yes 0 7 0 1
R:R:N293 R:R:Y308 5.81 0 No No 5 5 1 2
L:L:?1 R:R:N293 5.17 1 Yes No 0 5 0 1
R:R:N312 R:R:Y316 15.12 1 No Yes 5 6 1 1
L:L:?1 R:R:N312 15.5 1 Yes No 0 5 0 1
R:R:W313 R:R:Y316 16.4 1 Yes Yes 5 6 2 1
L:L:?1 R:R:Y316 5.29 1 Yes Yes 0 6 0 1
R:R:F290 R:R:S204 3.96 1 Yes No 7 5 1 2
R:R:F193 R:R:T110 3.89 0 Yes No 4 4 1 2
R:R:V87 R:R:Y316 3.79 0 No Yes 7 6 2 1
R:R:F289 R:R:L311 2.44 1 Yes Yes 6 5 1 2
R:R:S207 R:R:T164 1.6 0 No No 5 5 1 2
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub5.00
Average Interaction Strength9.33
Average Nodes In Shell29.00
Average Hubs In Shell14.00
Average Links In Shell38.00
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
6PS2 A Amine Adrenergic Beta2 Homo sapiens (S)-Alprenolol - - 2.4 2019-11-13 10.1107/S2052252519013137

A 2D representation of the interactions of JTZ in 6PS2
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 0 No No 7 7 1 2
R:R:F193 R:R:T110 6.49 1 Yes No 4 4 1 2
R:R:D113 R:R:Y316 10.34 0 No Yes 7 6 1 2
L:L:?1 R:R:D113 20.43 1 Yes No 0 7 0 1
R:R:S165 R:R:V114 6.46 0 No No 7 5 2 1
L:L:?1 R:R:V114 8.97 1 Yes No 0 5 0 1
R:R:V117 R:R:W286 7.36 1 No Yes 6 8 1 1
L:L:?1 R:R:V117 5.61 1 Yes No 0 6 0 1
R:R:S207 R:R:T118 9.59 0 No No 5 6 1 2
R:R:F193 R:R:Y174 4.13 1 Yes Yes 4 5 1 2
R:R:Y174 R:R:Y199 6.95 1 Yes Yes 5 6 2 2
R:R:F193 R:R:T195 7.78 1 Yes No 4 3 1 2
R:R:F193 R:R:Y199 4.13 1 Yes Yes 4 6 1 2
L:L:?1 R:R:F193 12.84 1 Yes Yes 0 4 0 1
R:R:T195 R:R:Y199 6.24 1 No Yes 3 6 2 2
R:R:S203 R:R:Y199 16.53 0 No Yes 5 6 1 2
L:L:?1 R:R:S203 6.78 1 Yes No 0 5 0 1
R:R:F290 R:R:S204 3.96 1 Yes No 7 5 1 2
L:L:?1 R:R:S207 4.52 1 Yes No 0 5 0 1
R:R:F208 R:R:F290 33.22 0 Yes Yes 8 7 2 1
R:R:F282 R:R:W286 12.03 0 Yes Yes 9 8 2 1
R:R:F289 R:R:W286 6.01 1 Yes Yes 6 8 1 1
R:R:F290 R:R:W286 5.01 1 Yes Yes 7 8 1 1
R:R:G315 R:R:W286 12.67 0 No Yes 7 8 2 1
L:L:?1 R:R:W286 4.29 1 Yes Yes 0 8 0 1
R:R:F289 R:R:F290 6.43 1 Yes Yes 6 7 1 1
R:R:F289 R:R:Y308 11.35 1 Yes No 6 5 1 2
R:R:F289 R:R:N312 12.08 1 Yes No 6 5 1 1
L:L:?1 R:R:F289 6.42 1 Yes Yes 0 6 0 1
L:L:?1 R:R:F290 11.92 1 Yes Yes 0 7 0 1
R:R:N293 R:R:Y308 5.81 0 No No 5 5 1 2
L:L:?1 R:R:N293 6.2 1 Yes No 0 5 0 1
R:R:N312 R:R:Y316 11.63 1 No Yes 5 6 1 2
L:L:?1 R:R:N312 13.44 1 Yes No 0 5 0 1
R:R:S165 R:R:T164 1.6 0 No No 7 5 2 2
R:R:S207 R:R:T164 1.6 0 No No 5 5 1 2
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub4.00
Average Interaction Strength9.22
Average Nodes In Shell26.00
Average Hubs In Shell10.00
Average Links In Shell36.00
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
8JJO A Amine Adrenergic Beta2 Homo sapiens Alprenolol - - 3.4 2023-09-06 10.1038/s41589-023-01389-0

A 2D representation of the interactions of JTZ in 8JJO
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 6.31 1 No Yes 7 6 2 1
R:R:V87 R:R:Y316 6.31 0 No Yes 7 6 2 1
R:R:F193 R:R:T110 3.89 0 Yes No 4 4 1 2
R:R:D113 R:R:Y316 10.34 1 No Yes 7 6 1 1
L:L:?1 R:R:D113 16.35 1 Yes No 0 7 0 1
R:R:S165 R:R:V114 8.08 0 No No 7 5 2 1
L:L:?1 R:R:V114 16.82 1 Yes No 0 5 0 1
R:R:V117 R:R:W286 8.58 1 No Yes 6 8 1 1
L:L:?1 R:R:V117 6.73 1 Yes No 0 6 0 1
R:R:S207 R:R:T118 7.99 0 No No 5 6 1 2
R:R:F193 R:R:T195 5.19 0 Yes No 4 3 1 2
R:R:F193 R:R:Y199 6.19 0 Yes Yes 4 6 1 2
L:L:?1 R:R:F193 7.33 1 Yes Yes 0 4 0 1
R:R:F290 R:R:S204 7.93 0 No No 7 5 1 2
R:R:F208 R:R:F290 27.86 0 Yes No 8 7 2 1
R:R:F282 R:R:W286 11.02 0 Yes Yes 9 8 2 1
R:R:F289 R:R:W286 7.02 1 Yes Yes 6 8 1 1
R:R:G315 R:R:W286 12.67 0 No Yes 7 8 2 1
L:L:?1 R:R:W286 4.29 1 Yes Yes 0 8 0 1
R:R:F289 R:R:N293 9.67 1 Yes No 6 5 1 1
R:R:F289 R:R:Y308 8.25 1 Yes Yes 6 5 1 2
R:R:F289 R:R:N312 16.92 1 Yes No 6 5 1 1
L:L:?1 R:R:F289 10.09 1 Yes Yes 0 6 0 1
L:L:?1 R:R:F290 12.84 1 Yes No 0 7 0 1
R:R:N293 R:R:Y308 10.47 1 No Yes 5 5 1 2
L:L:?1 R:R:N293 5.17 1 Yes No 0 5 0 1
R:R:N312 R:R:Y316 15.12 1 No Yes 5 6 1 1
L:L:?1 R:R:N312 13.44 1 Yes No 0 5 0 1
R:R:W313 R:R:Y316 4.82 1 Yes Yes 5 6 2 1
L:L:?1 R:R:Y316 4.41 1 Yes Yes 0 6 0 1
L:L:?1 R:R:S207 3.39 1 Yes No 0 5 0 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub4.00
Average Interaction Strength9.17
Average Nodes In Shell25.00
Average Hubs In Shell10.00
Average Links In Shell32.00
Average Links Mediated by Hubs In Shell28.00
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 Links10.60
Average Number Of Links With An Hub4.80
Average Interaction Strength9.34
Average Nodes In Shell26.60
Average Hubs In Shell12.20
Average Links In Shell36.20
Average Links Mediated by Hubs In Shell32.40

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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 🔍)