CodeEP5
Name2-[5-[2-[4-(4-cyanophenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]-1~{H}-indol-3-yl]ethylazanium
Synonyms
Identifier2-[5-[2-[4-(4-cyanophenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]-1~{H}-indol-3-yl]ethylazanium
FormulaC23 H26 N5 O2
Molecular Weight404.485
SMILESc1cc(ccc1C#N)N2CCN(CC2)C(=O)COc3ccc4c(c3)c(c[nH]4)CC[NH3+]
PubChem137349273
Formal Charge1
Total Atoms56
Total Chiral Atoms0
Total Bonds59
Total Aromatic Bonds16
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
6G79 A Amine 5-Hydroxytryptamine 5-HT1B Homo sapiens Donitriptan - Go/Beta1/Gamma2 3.78 2018-06-20 10.1038/s41586-018-0241-9

A 2D representation of the interactions of EP5 in 6G79
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:D129 R:R:V102 8.76 1 No Yes 8 7 1 2
R:R:V102 R:R:Y359 5.05 1 Yes Yes 7 7 2 2
R:R:D129 R:R:Y359 9.2 1 No Yes 8 7 1 2
L:L:?1 R:R:D129 8.29 1 Yes No 0 8 0 1
R:R:I130 R:R:S181 3.1 0 No No 6 7 1 2
L:L:?1 R:R:I130 16.46 1 Yes No 0 6 0 1
R:R:C133 R:R:W327 6.53 1 No Yes 6 7 1 1
L:L:?1 R:R:C133 5.38 1 Yes No 0 6 0 1
R:R:S177 R:R:T134 6.4 0 No No 8 7 2 1
R:R:A216 R:R:T134 5.03 1 No No 7 7 1 1
L:L:?1 R:R:T134 5 1 Yes No 0 7 0 1
R:R:I137 R:R:W327 10.57 0 No Yes 8 7 2 1
R:R:I180 R:R:S212 3.1 0 No No 7 7 2 1
L:L:?1 R:R:V201 7.07 1 Yes No 0 6 0 1
L:L:?1 R:R:T209 3 1 Yes No 0 6 0 1
L:L:?1 R:R:S212 3.06 1 Yes No 0 7 0 1
R:R:T213 R:R:Y218 3.75 1 No Yes 6 6 2 2
R:R:F331 R:R:T213 6.49 1 Yes No 7 6 1 2
R:R:S334 R:R:T213 7.99 0 No No 6 6 1 2
L:L:?1 R:R:A216 3.21 1 Yes No 0 7 0 1
R:R:F217 R:R:Y218 12.38 1 Yes Yes 8 6 2 2
R:R:F217 R:R:W327 3.01 1 Yes Yes 8 7 2 1
R:R:F217 R:R:F331 25.72 1 Yes Yes 8 7 2 1
R:R:F331 R:R:Y218 3.09 1 Yes Yes 7 6 1 2
R:R:F330 R:R:W327 6.01 1 Yes Yes 8 7 1 1
R:R:F331 R:R:W327 11.02 1 Yes Yes 7 7 1 1
R:R:G358 R:R:W327 8.44 0 No Yes 7 7 2 1
R:R:N361 R:R:W327 4.52 0 No Yes 9 7 2 1
L:L:?1 R:R:W327 3.86 1 Yes Yes 0 7 0 1
R:R:F330 R:R:F331 6.43 1 Yes Yes 8 7 1 1
R:R:F330 R:R:F351 7.5 1 Yes Yes 8 4 1 1
R:R:F330 R:R:T355 3.89 1 Yes No 8 6 1 2
L:L:?1 R:R:F330 10.74 1 Yes Yes 0 8 0 1
L:L:?1 R:R:F331 11.57 1 Yes Yes 0 7 0 1
L:L:?1 R:R:S334 6.11 1 Yes No 0 6 0 1
R:R:M337 R:R:V336 3.04 0 No No 4 5 1 2
L:L:?1 R:R:M337 9.59 1 Yes No 0 4 0 1
R:R:D352 R:R:F351 5.97 0 No Yes 4 4 2 1
R:R:F351 R:R:T355 3.89 1 Yes No 4 6 1 2
L:L:?1 R:R:F351 12.39 1 Yes Yes 0 4 0 1
R:R:T355 R:R:Y359 3.75 1 No Yes 6 7 2 2
L:L:?1 R:R:T203 2 1 Yes No 0 7 0 1
R:R:M337 R:R:P338 1.68 0 No No 4 5 1 2
StatisticsValue
Average Number Of Links15.00
Average Number Of Links With An Hub4.00
Average Interaction Strength7.18
Average Nodes In Shell31.00
Average Hubs In Shell9.00
Average Links In Shell43.00
Average Links Mediated by Hubs In Shell36.00
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 Links15.00
Average Number Of Links With An Hub4.00
Average Interaction Strength7.18
Average Nodes In Shell31.00
Average Hubs In Shell9.00
Average Links In Shell43.00
Average Links Mediated by Hubs In Shell36.00

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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 🔍)