CodeALE
NameEpinephrine
SynonymsAdrenaline
Identifier
FormulaC9 H13 N O3
Molecular Weight183.204
SMILES
PubChem139148732
Formal Charge0
Total Atoms26
Total Chiral Atoms1
Total Bonds26
Total Aromatic Bonds6
Networks8
 missing image

This ligand is also present in the following 8 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
4LDO A Amine Adrenergic Beta2 Homo Sapiens L-Epinephrine - - 3.2 2013-09-25 doi.org/10.1038/nature12572

A 2D representation of the interactions of ALE in 4LDO
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
L:L:?402 R:R:D113 21.86 1 Yes No 0 7 0 1
L:L:?402 R:R:V114 11.29 1 Yes No 0 5 0 1
L:L:?402 R:R:V117 9.88 1 Yes No 0 6 0 1
L:L:?402 R:R:F193 15 1 Yes No 0 4 0 1
L:L:?402 R:R:S203 7.11 1 Yes No 0 5 0 1
L:L:?402 R:R:F289 10.38 1 Yes Yes 0 6 0 1
L:L:?402 R:R:F290 9.23 1 Yes Yes 0 7 0 1
L:L:?402 R:R:N293 5.2 1 Yes Yes 0 5 0 1
L:L:?402 R:R:N312 18.21 1 Yes No 0 5 0 1
L:L:?402 R:R:Y316 7.77 1 Yes Yes 0 6 0 1
R:R:M82 R:R:V86 4.56 1 Yes No 7 7 2 2
R:R:M82 R:R:Y316 7.18 1 Yes 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 5.05 1 No Yes 7 6 2 1
R:R:D113 R:R:Y316 10.34 1 No Yes 7 6 1 1
R:R:V114 R:R:Y199 3.79 0 No Yes 5 6 1 2
R:R:V117 R:R:W286 9.81 0 No Yes 6 8 1 2
R:R:F193 R:R:T195 6.49 0 No No 4 3 1 2
R:R:F193 R:R:Y308 4.13 0 No Yes 4 5 1 2
R:R:T195 R:R:Y199 3.75 2 No Yes 3 6 2 2
R:R:S203 R:R:Y199 5.09 0 No Yes 5 6 1 2
R:R:F290 R:R:S204 5.28 1 Yes No 7 5 1 2
R:R:N293 R:R:S204 4.47 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 13.93 1 Yes Yes 6 7 1 1
R:R:F289 R:R:N293 8.46 1 Yes Yes 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 14.5 1 Yes No 6 5 1 1
R:R:N293 R:R:Y308 9.3 1 Yes Yes 5 5 1 2
R:R:N312 R:R:Y316 10.47 1 No Yes 5 6 1 1
R:R:W313 R:R:Y316 14.47 1 Yes Yes 5 6 2 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub4.00
Average Interaction Strength11.59
Average Nodes In Shell20.00
Average Hubs In Shell11.00
Average Links In Shell33.00
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 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
7BTS A Amine Adrenergic Beta1 Homo Sapiens L-Epinephrine - - 3.13 2020-12-02 doi.org/10.1038/s41422-020-00424-2

A 2D representation of the interactions of ALE in 7BTS
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
L:L:?401 R:R:D138 19.29 1 Yes Yes 0 7 0 1
L:L:?401 R:R:V139 18.35 1 Yes No 0 7 0 1
L:L:?401 R:R:V142 8.47 1 Yes Yes 0 6 0 1
L:L:?401 R:R:F218 16.15 1 Yes Yes 0 6 0 1
L:L:?401 R:R:S228 9.96 1 Yes No 0 6 0 1
L:L:?401 R:R:S232 8.53 1 Yes No 0 7 0 1
L:L:?401 R:R:F340 8.08 1 Yes Yes 0 7 0 1
L:L:?401 R:R:F341 8.08 1 Yes Yes 0 7 0 1
L:L:?401 R:R:N344 6.5 1 Yes Yes 0 6 0 1
L:L:?401 R:R:N363 14.31 1 Yes No 0 6 0 1
L:L:?401 R:R:Y367 4.44 1 Yes Yes 0 8 0 1
R:R:M107 R:R:V111 4.56 0 Yes Yes 7 7 2 2
R:R:M107 R:R:V142 4.56 0 Yes Yes 7 6 2 1
R:R:D138 R:R:V111 8.76 1 Yes Yes 7 7 1 2
R:R:V111 R:R:Y367 3.79 1 Yes Yes 7 8 2 1
R:R:V112 R:R:Y367 5.05 0 No Yes 7 8 2 1
R:R:D138 R:R:V142 4.38 1 Yes Yes 7 6 1 1
R:R:D138 R:R:Y367 10.34 1 Yes Yes 7 8 1 1
R:R:S190 R:R:V139 3.23 4 No No 7 7 2 1
R:R:V139 R:R:Y224 3.79 0 No Yes 7 7 1 2
R:R:V142 R:R:W337 9.81 1 Yes Yes 6 8 1 2
R:R:S232 R:R:T143 9.59 0 No Yes 7 7 1 2
R:R:F218 R:R:W199 7.02 1 Yes Yes 6 6 1 2
R:R:W199 R:R:Y224 4.82 1 Yes Yes 6 7 2 2
R:R:F218 R:R:N344 3.62 1 Yes Yes 6 6 1 1
R:R:F218 R:R:F359 3.22 1 Yes Yes 6 5 1 2
R:R:S228 R:R:Y224 11.45 0 No Yes 6 7 1 2
R:R:S229 R:R:Y234 3.82 1 Yes Yes 7 5 2 2
R:R:F341 R:R:S229 5.28 1 Yes Yes 7 7 1 2
R:R:N344 R:R:S229 4.47 1 Yes Yes 6 7 1 2
R:R:F233 R:R:Y234 9.28 1 Yes Yes 8 5 2 2
R:R:F233 R:R:F341 21.43 1 Yes Yes 8 7 2 1
R:R:F341 R:R:Y234 3.09 1 Yes Yes 7 5 1 2
R:R:F340 R:R:W337 5.01 1 Yes Yes 7 8 1 2
R:R:F341 R:R:W337 10.02 1 Yes Yes 7 8 1 2
R:R:F340 R:R:F341 11.79 1 Yes Yes 7 7 1 1
R:R:F340 R:R:N344 8.46 1 Yes Yes 7 6 1 1
R:R:F340 R:R:F359 7.5 1 Yes Yes 7 5 1 2
R:R:F340 R:R:N363 15.71 1 Yes No 7 6 1 1
R:R:F359 R:R:N344 3.62 1 Yes Yes 5 6 2 1
R:R:N363 R:R:Y367 11.63 1 No Yes 6 8 1 1
R:R:W364 R:R:Y367 15.43 1 Yes Yes 7 8 2 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub7.00
Average Interaction Strength11.11
Average Nodes In Shell25.00
Average Hubs In Shell19.00
Average Links In Shell42.00
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 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8THL A Amine Adrenergic Alpha1A Homo Sapiens Epinephrine - chim(NtGi2L-Gs-CtGq)/Beta1/Gamma2 3.1 2023-08-16 doi.org/10.1038/s41467-023-40524-2

A 2D representation of the interactions of ALE in 8THL
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
L:L:?1 R:R:D106 16.71 1 Yes No 0 7 0 1
L:L:?1 R:R:V107 9.88 1 Yes No 0 6 0 1
L:L:?1 R:R:C110 9.02 1 Yes No 0 6 0 1
L:L:?1 R:R:S188 7.11 1 Yes No 0 7 0 1
L:L:?1 R:R:W285 5.39 1 Yes Yes 0 8 0 1
L:L:?1 R:R:F288 11.54 1 Yes No 0 7 0 1
L:L:?1 R:R:F289 10.38 1 Yes Yes 0 7 0 1
L:L:?1 R:R:M292 6.7 1 Yes No 0 7 0 1
L:L:?1 R:R:F312 12.69 1 Yes Yes 0 6 0 1
L:L:?1 R:R:Y316 8.88 1 Yes Yes 0 7 0 1
R:R:D106 R:R:V79 13.15 1 No Yes 7 8 1 2
R:R:V79 R:R:Y316 3.79 1 Yes Yes 8 7 2 1
R:R:L80 R:R:Y316 8.21 0 No Yes 8 7 2 1
R:R:S83 R:R:W313 6.18 1 No Yes 7 6 2 2
R:R:S83 R:R:Y316 7.63 1 No Yes 7 7 2 1
R:R:D106 R:R:Y316 10.34 1 No Yes 7 7 1 1
R:R:V107 R:R:Y184 3.79 0 No Yes 6 8 1 2
R:R:C110 R:R:W285 5.22 1 No Yes 6 8 1 1
R:R:F281 R:R:I114 3.77 1 Yes No 9 8 2 2
R:R:I114 R:R:W285 15.27 1 No Yes 8 8 2 1
R:R:F312 R:R:I178 5.02 1 Yes No 6 6 1 2
R:R:S188 R:R:Y184 12.72 0 No Yes 7 8 1 2
R:R:M292 R:R:V185 6.09 0 No No 7 6 1 2
R:R:F289 R:R:S192 5.28 1 Yes No 7 6 1 2
R:R:F193 R:R:F281 4.29 1 Yes Yes 8 9 2 2
R:R:F193 R:R:W285 5.01 1 Yes Yes 8 8 2 1
R:R:F193 R:R:F289 18.22 1 Yes Yes 8 7 2 1
R:R:F281 R:R:W285 5.01 1 Yes Yes 9 8 2 1
R:R:F289 R:R:W285 5.01 1 Yes Yes 7 8 1 1
R:R:G315 R:R:W285 8.44 0 No Yes 7 8 2 1
R:R:N318 R:R:W285 11.3 0 Yes Yes 9 8 2 1
R:R:F288 R:R:V311 10.49 1 No No 7 5 1 2
R:R:F288 R:R:F312 16.08 1 No Yes 7 6 1 1
R:R:M292 R:R:P293 11.74 0 No No 7 6 1 2
R:R:F312 R:R:Y316 5.16 1 Yes Yes 6 7 1 1
R:R:W313 R:R:Y316 8.68 1 Yes Yes 6 7 2 1
R:R:S158 R:R:V107 3.23 0 No No 8 6 2 1
R:R:F308 R:R:F312 3.22 0 No Yes 4 6 2 1
R:R:A189 R:R:F289 2.77 0 No Yes 7 7 2 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub4.00
Average Interaction Strength9.83
Average Nodes In Shell29.00
Average Hubs In Shell11.00
Average Links In Shell39.00
Average Links Mediated by Hubs In Shell35.00
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
9CBL A Amine Adrenergic Alpha2A Homo sapiens Epinephrine - Gi1/Beta1/Gamma2 2.8 2024-09-11 doi.org/10.1038/s12276-024-01296-x

A 2D representation of the interactions of ALE in 9CBL
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
L:L:?1 R:R:D128 8.94 2 Yes Yes 0 8 0 1
L:L:?1 R:R:V129 15.43 2 Yes No 0 8 0 1
L:L:?1 R:R:C132 11.95 2 Yes No 0 7 0 1
L:L:?1 R:R:T133 4.16 2 Yes No 0 8 0 1
L:L:?1 R:R:S215 7.07 2 Yes No 0 9 0 1
L:L:?1 R:R:S219 5.65 2 Yes No 0 8 0 1
L:L:?1 R:R:F405 9.17 2 Yes Yes 0 8 0 1
L:L:?1 R:R:F406 8.03 2 Yes Yes 0 8 0 1
L:L:?1 R:R:F427 12.61 2 Yes No 0 7 0 1
L:L:?1 R:R:Y431 8.83 2 Yes Yes 0 8 0 1
R:R:D128 R:R:V101 14.61 2 Yes No 8 8 1 2
R:R:V101 R:R:Y431 3.79 2 No Yes 8 8 2 1
R:R:S105 R:R:Y431 3.82 0 No Yes 8 8 2 1
R:R:C132 R:R:D128 3.11 2 No Yes 7 8 1 1
R:R:D128 R:R:Y431 6.9 2 Yes Yes 8 8 1 1
R:R:S176 R:R:T133 4.8 0 No No 8 8 2 1
R:R:S219 R:R:T133 7.99 2 No No 8 8 1 1
R:R:S215 R:R:Y211 5.09 0 No No 9 8 1 2
R:R:C216 R:R:F406 5.59 0 No Yes 7 8 2 1
R:R:C216 R:R:Y409 5.38 0 No Yes 7 8 2 2
R:R:F406 R:R:S219 3.96 2 Yes No 8 8 1 1
R:R:F220 R:R:W402 4.01 2 Yes Yes 9 9 2 2
R:R:F220 R:R:F406 17.15 2 Yes Yes 9 8 2 1
R:R:F406 R:R:W402 8.02 2 Yes Yes 8 9 1 2
R:R:F405 R:R:F406 8.57 2 Yes Yes 8 8 1 1
R:R:F405 R:R:Y409 8.25 2 Yes Yes 8 8 1 2
R:R:F405 R:R:F423 4.29 2 Yes No 8 6 1 2
R:R:F423 R:R:Y409 5.16 2 No Yes 6 8 2 2
R:R:F427 R:R:W428 3.01 2 No Yes 7 7 1 2
R:R:F427 R:R:Y431 6.19 2 No Yes 7 8 1 1
R:R:W428 R:R:Y431 9.65 2 Yes Yes 7 8 2 1
R:R:I179 R:R:S215 1.55 0 No No 8 9 2 1
R:R:L58 R:R:Y431 1.17 0 No Yes 7 8 2 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub4.00
Average Interaction Strength9.18
Average Nodes In Shell23.00
Average Hubs In Shell9.00
Average Links In Shell33.00
Average Links Mediated by Hubs In Shell29.00
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
9IJE A Amine Adrenergic Beta3 Homo sapiens Epinephrine - chim(NtGi1-Gs)/Beta1/Gamma2 2.34 2024-08-21 doi.org/10.1002/cplu.202400288

A 2D representation of the interactions of ALE in 9IJE
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
L:L:?1 R:R:D117 17.89 4 Yes Yes 0 8 0 1
L:L:?1 R:R:V118 15.43 4 Yes No 0 7 0 1
L:L:?1 R:R:V121 11.22 4 Yes No 0 6 0 1
L:L:?1 R:R:S208 4.24 4 Yes No 0 6 0 1
L:L:?1 R:R:S212 4.24 4 Yes Yes 0 6 0 1
L:L:?1 R:R:F308 11.47 4 Yes Yes 0 7 0 1
L:L:?1 R:R:F309 9.17 4 Yes Yes 0 7 0 1
L:L:?1 R:R:N332 10.34 4 Yes No 0 7 0 1
R:R:V90 R:R:W113 3.68 4 No No 7 6 2 2
R:R:D117 R:R:V90 4.38 4 Yes No 8 7 1 2
R:R:V90 R:R:Y336 5.05 4 No Yes 7 8 2 2
R:R:D117 R:R:W113 3.35 4 Yes No 8 6 1 2
R:R:D117 R:R:Y336 10.34 4 Yes Yes 8 8 1 2
R:R:S169 R:R:V118 3.23 0 No No 8 7 2 1
R:R:V121 R:R:W305 9.81 0 No Yes 6 8 1 2
R:R:S212 R:R:T122 7.99 0 Yes No 6 7 1 2
R:R:S208 R:R:Y204 13.99 0 No No 6 8 1 2
R:R:F309 R:R:S209 7.93 4 Yes No 7 6 1 2
R:R:F213 R:R:F309 22.51 0 Yes Yes 8 7 2 1
R:R:F308 R:R:W305 7.02 4 Yes Yes 7 8 1 2
R:R:F309 R:R:W305 7.02 4 Yes Yes 7 8 1 2
R:R:F308 R:R:F309 7.5 4 Yes Yes 7 7 1 1
R:R:F308 R:R:F328 8.57 4 Yes Yes 7 5 1 2
R:R:F308 R:R:N332 6.04 4 Yes No 7 7 1 1
R:R:N332 R:R:Y336 17.44 4 No Yes 7 8 1 2
R:R:S208 R:R:V168 1.62 0 No No 6 6 1 2
R:R:S212 R:R:V168 1.62 0 Yes No 6 6 1 2
R:R:S212 R:R:V211 1.62 0 Yes No 6 4 1 2
R:R:T114 R:R:V118 1.59 0 No No 5 7 2 1
StatisticsValue
Average Number Of Links8.00
Average Number Of Links With An Hub4.00
Average Interaction Strength10.50
Average Nodes In Shell22.00
Average Hubs In Shell9.00
Average Links In Shell29.00
Average Links Mediated by Hubs In Shell24.00
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 Links9.62
Average Number Of Links With An Hub4.25
Average Interaction Strength10.21
Average Nodes In Shell24.12
Average Hubs In Shell10.38
Average Links In Shell34.00
Average Links Mediated by Hubs In Shell30.00

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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 🔍)