CodeEP5
Name2-[5-[2-[4-(4-cyanophenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]-1~{H}-indol-3-yl]ethylazanium
Synonyms
Identifier
FormulaC23 H26 N5 O2
Molecular Weight404.485
SMILES
PubChem137349273
Formal Charge1
Total Atoms56
Total Chiral Atoms0
Total Bonds59
Total Aromatic Bonds16
Networks2
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This ligand is also present in the following 2 networks:
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
L:L:?1 R:R:D129 8.29 1 Yes No 0 8 0 1
L:L:?1 R:R:I130 16.46 1 Yes No 0 6 0 1
L:L:?1 R:R:C133 5.38 1 Yes No 0 6 0 1
L:L:?1 R:R:T134 5 1 Yes No 0 7 0 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
L:L:?1 R:R:A216 3.21 1 Yes No 0 7 0 1
L:L:?1 R:R:W327 3.86 1 Yes Yes 0 7 0 1
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
L:L:?1 R:R:M337 9.59 1 Yes Yes 0 4 0 1
L:L:?1 R:R:L348 7.51 1 Yes No 0 2 0 1
L:L:?1 R:R:F351 12.39 1 Yes Yes 0 4 0 1
R:R:D129 R:R:V102 8.76 1 No No 8 7 1 2
R:R:V102 R:R:Y359 5.05 1 No Yes 7 7 2 2
R:R:D129 R:R:Y359 9.2 1 No Yes 8 7 1 2
R:R:I130 R:R:S181 3.1 0 No No 6 7 1 2
R:R:C133 R:R:W327 6.53 1 No Yes 6 7 1 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
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
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
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
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
R:R:I333 R:R:M337 2.92 0 No Yes 4 4 2 1
R:R:M337 R:R:V336 3.04 0 Yes No 4 5 1 2
R:R:F351 R:R:L348 12.18 1 Yes No 4 2 1 1
R:R:F351 R:R:T355 3.89 1 Yes No 4 6 1 2
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 Yes No 4 5 1 2
StatisticsValue
Average Number Of Links16.00
Average Number Of Links With An Hub5.00
Average Interaction Strength7.20
Average Nodes In Shell32.00
Average Hubs In Shell9.00
Average Links In Shell45.00
Average Links Mediated by Hubs In Shell39.00
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 Hub4.50
Average Interaction Strength7.49
Average Nodes In Shell29.50
Average Hubs In Shell7.50
Average Links In Shell40.50
Average Links Mediated by Hubs In Shell34.50

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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 🔍)