CodeXF5
Name4-(PIPERAZIN-1-YL)-1H-INDOLE
Synonyms
Identifier4-piperazin-1-yl-1H-indole
FormulaC12 H15 N3
Molecular Weight201.268
SMILESc1cc2c(cc[nH]2)c(c1)N3CCNCC3
PubChem594590
Formal Charge0
Total Atoms30
Total Chiral Atoms0
Total Bonds32
Total Aromatic Bonds10
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
3ZPQ A Amine Adrenergic Beta1 Meleagris gallopavo 4-(piperazin-1- yl)-1H-indole Na - 2.8 2013-04-03 10.1021/jm400140q

A 2D representation of the interactions of XF5 in 3ZPQ
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:D121 R:R:V94 5.84 1 No Yes 7 7 1 2
R:R:V94 R:R:Y333 5.05 1 Yes Yes 7 7 2 2
R:R:F201 R:R:T118 9.08 1 Yes No 4 6 1 2
R:R:D121 R:R:Y333 11.49 1 No Yes 7 7 1 2
L:L:?9 R:R:D121 17.6 1 Yes No 0 7 0 1
R:R:S173 R:R:V122 6.46 0 No No 7 6 2 1
L:L:?9 R:R:V122 16.9 1 Yes No 0 6 0 1
R:R:V125 R:R:W303 9.81 1 No Yes 6 8 1 1
L:L:?9 R:R:V125 4.83 1 Yes No 0 6 0 1
R:R:S215 R:R:T126 7.99 0 No Yes 6 6 1 2
R:R:I177 R:R:W182 5.87 1 No Yes 6 5 2 2
R:R:F201 R:R:I177 3.77 1 Yes No 4 6 1 2
R:R:F201 R:R:W182 12.03 1 Yes Yes 4 5 1 2
R:R:T203 R:R:W182 3.64 1 No Yes 4 5 2 2
R:R:W182 R:R:Y207 6.75 1 Yes Yes 5 7 2 2
R:R:F201 R:R:T203 7.78 1 Yes No 4 4 1 2
R:R:F201 R:R:Y207 7.22 1 Yes Yes 4 7 1 2
L:L:?9 R:R:F201 7.9 1 Yes Yes 0 4 0 1
R:R:T203 R:R:Y207 4.99 1 No Yes 4 7 2 2
R:R:S211 R:R:Y207 13.99 0 No Yes 6 7 1 2
L:L:?9 R:R:S211 7.3 1 Yes No 0 6 0 1
R:R:F307 R:R:S212 3.96 1 Yes No 7 6 1 2
R:R:N310 R:R:S212 5.96 0 No No 6 6 1 2
L:L:?9 R:R:S215 4.87 1 Yes No 0 6 0 1
R:R:F216 R:R:F307 32.15 0 No Yes 7 7 2 1
R:R:F299 R:R:W303 10.02 0 Yes Yes 9 8 2 1
R:R:F306 R:R:W303 6.01 1 Yes Yes 7 8 1 1
R:R:F307 R:R:W303 5.01 1 Yes Yes 7 8 1 1
R:R:G332 R:R:W303 11.26 0 No Yes 6 8 2 1
L:L:?9 R:R:W303 3.69 1 Yes Yes 0 8 0 1
R:R:F306 R:R:F307 10.72 1 Yes Yes 7 7 1 1
R:R:F306 R:R:F325 6.43 1 Yes No 7 4 1 2
R:R:F306 R:R:N329 8.46 1 Yes No 7 6 1 1
L:L:?9 R:R:F306 13.82 1 Yes Yes 0 7 0 1
L:L:?9 R:R:F307 13.82 1 Yes Yes 0 7 0 1
R:R:F325 R:R:N310 4.83 0 No No 4 6 2 1
L:L:?9 R:R:N310 3.34 1 Yes No 0 6 0 1
R:R:N329 R:R:Y333 11.63 1 No Yes 6 7 1 2
L:L:?9 R:R:N329 7.79 1 Yes No 0 6 0 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub4.00
Average Interaction Strength9.26
Average Nodes In Shell26.00
Average Hubs In Shell11.00
Average Links In Shell39.00
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 Links11.00
Average Number Of Links With An Hub4.00
Average Interaction Strength9.26
Average Nodes In Shell26.00
Average Hubs In Shell11.00
Average Links In Shell39.00
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 🔍)