CodeEI5
Name3-[3-[2-[[(2~{S})-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]benzoic acid
Synonyms
Identifier3-[3-[2-[[(2~{S})-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]benzoic acid
FormulaC23 H23 Cl N2 O3
Molecular Weight410.893
SMILESc1cc(cc(c1)C(=O)O)c2cccc(c2)NCCNC[C@H](c3cccc(c3)Cl)O
PubChem67469417
Formal Charge0
Total Atoms52
Total Chiral Atoms1
Total Bonds54
Total Aromatic Bonds18
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
7XJI A Amine Adrenergic Beta3 Canis lupus familiaris Solabegron - Gs/Beta1/Gamma2 3.9 2022-05-04 10.1016/j.bbrc.2022.04.065

A 2D representation of the interactions of EI5 in 7XJI
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:E47 R:R:V91 7.13 2 No Yes 7 7 2 2
R:R:E47 R:R:Y336 4.49 2 No Yes 7 7 2 1
R:R:V86 R:R:V90 3.21 2 Yes No 8 7 2 2
R:R:V86 R:R:Y336 3.79 2 Yes Yes 8 7 2 1
R:R:V90 R:R:W113 8.58 2 No Yes 7 5 2 1
R:R:V90 R:R:Y336 3.79 2 No Yes 7 7 2 1
R:R:V91 R:R:Y336 3.79 2 Yes Yes 7 7 2 1
R:R:P93 R:R:W113 8.11 0 No Yes 5 5 2 1
R:R:W103 R:R:W113 4.69 2 Yes Yes 7 5 2 1
R:R:D117 R:R:W113 6.7 2 Yes Yes 7 5 1 1
L:L:?1 R:R:W113 3.33 2 Yes Yes 0 5 0 1
R:R:F198 R:R:T114 3.89 0 No No 5 5 1 2
R:R:D117 R:R:V118 4.38 2 Yes No 7 7 1 1
R:R:D117 R:R:Y336 3.45 2 Yes Yes 7 7 1 1
L:L:?1 R:R:D117 17.87 2 Yes Yes 0 7 0 1
R:R:S169 R:R:V118 6.46 0 No No 7 7 2 1
L:L:?1 R:R:V118 5.45 2 Yes No 0 7 0 1
R:R:I125 R:R:V121 3.07 2 Yes No 8 7 2 1
R:R:V121 R:R:W305 9.81 2 No Yes 7 8 1 1
L:L:?1 R:R:V121 7.63 2 Yes No 0 7 0 1
R:R:F301 R:R:I125 3.77 2 Yes Yes 9 8 2 2
R:R:I125 R:R:W305 3.52 2 Yes Yes 8 8 2 1
R:R:E185 R:R:R188 15.12 2 Yes No 2 2 1 1
R:R:A197 R:R:E185 4.53 0 No Yes 4 2 2 1
R:R:A199 R:R:E185 4.53 0 No Yes 4 2 2 1
L:L:?1 R:R:E185 4.85 2 Yes Yes 0 2 0 1
R:R:C189 R:R:R188 12.54 2 No No 1 2 2 1
L:L:?1 R:R:R188 8.89 2 Yes No 0 2 0 1
L:L:?1 R:R:F198 24.95 2 Yes No 0 5 0 1
R:R:S208 R:R:Y204 3.82 0 No Yes 6 8 1 2
L:L:?1 R:R:S208 3.3 2 Yes No 0 6 0 1
R:R:F309 R:R:S209 5.28 2 Yes No 7 7 1 2
R:R:F309 R:R:S212 3.96 2 Yes No 7 6 1 2
R:R:F213 R:R:F301 5.36 2 Yes Yes 8 9 2 2
R:R:F213 R:R:W305 3.01 2 Yes Yes 8 8 2 1
R:R:F213 R:R:F309 17.15 2 Yes Yes 8 7 2 1
R:R:F301 R:R:W305 5.01 2 Yes Yes 9 8 2 1
R:R:F308 R:R:W305 6.01 2 Yes Yes 7 8 1 1
R:R:F309 R:R:W305 4.01 2 Yes Yes 7 8 1 1
R:R:G335 R:R:W305 9.85 0 No Yes 8 8 2 1
R:R:N338 R:R:W305 7.91 0 No Yes 9 8 2 1
L:L:?1 R:R:W305 3.33 2 Yes Yes 0 8 0 1
R:R:F308 R:R:N312 16.92 2 Yes No 7 7 1 2
R:R:F308 R:R:L328 4.87 2 Yes Yes 7 5 1 1
R:R:F308 R:R:L331 3.65 2 Yes No 7 6 1 2
R:R:F308 R:R:N332 10.87 2 Yes No 7 6 1 1
L:L:?1 R:R:F308 7.13 2 Yes Yes 0 7 0 1
L:L:?1 R:R:F309 5.35 2 Yes Yes 0 7 0 1
R:R:L328 R:R:N312 5.49 2 Yes No 5 7 1 2
L:L:?1 R:R:S325 6.59 2 Yes No 0 2 0 1
L:L:?1 R:R:L328 4.05 2 Yes Yes 0 5 0 1
L:L:?1 R:R:L329 9.11 2 Yes No 0 4 0 1
R:R:N332 R:R:Y336 19.77 2 No Yes 6 7 1 1
L:L:?1 R:R:N332 15.07 2 Yes No 0 6 0 1
L:L:?1 R:R:Y336 6 2 Yes Yes 0 7 0 1
R:R:G94 R:R:W113 2.81 0 No Yes 7 5 2 1
R:R:P326 R:R:S325 1.78 0 No No 1 2 2 1
R:R:A98 R:R:L329 1.58 0 No No 5 4 2 1
R:R:A311 R:R:L328 1.58 0 No Yes 5 5 2 1
R:R:A311 R:R:L331 1.58 0 No No 5 6 2 2
StatisticsValue
Average Number Of Links16.00
Average Number Of Links With An Hub8.00
Average Interaction Strength8.31
Average Nodes In Shell42.00
Average Hubs In Shell16.00
Average Links In Shell60.00
Average Links Mediated by Hubs In Shell54.00
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 Links16.00
Average Number Of Links With An Hub8.00
Average Interaction Strength8.31
Average Nodes In Shell42.00
Average Hubs In Shell16.00
Average Links In Shell60.00
Average Links Mediated by Hubs In Shell54.00

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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 🔍)