Code3WC
Name4-METHYL-2-(PIPERAZIN-1-YL) QUINOLINE
Synonyms
Identifier4-methyl-2-piperazin-1-yl-quinoline
FormulaC14 H17 N3
Molecular Weight227.305
SMILESCc1cc(nc2c1cccc2)N3CCNCC3
PubChem598754
Formal Charge0
Total Atoms34
Total Chiral Atoms0
Total Bonds36
Total Aromatic Bonds11
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
3ZPR A Amine Adrenergic Beta1 Meleagris gallopavo 4-methyl-2-(piperazin-1-yl) Na - 2.7 2013-04-03 10.1021/jm400140q

A 2D representation of the interactions of 3WC in 3ZPR
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 7.3 1 No Yes 7 7 1 2
R:R:V94 R:R:Y333 5.05 1 Yes Yes 7 7 2 1
R:R:V95 R:R:W330 3.68 1 Yes Yes 7 6 2 2
R:R:V95 R:R:Y333 3.79 1 Yes Yes 7 7 2 1
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 1
L:L:?5 R:R:D121 20.8 1 Yes No 0 7 0 1
R:R:S173 R:R:V122 6.46 0 Yes No 7 6 2 1
R:R:I177 R:R:V122 3.07 1 Yes No 6 6 2 1
L:L:?5 R:R:V122 11.42 1 Yes No 0 6 0 1
R:R:V125 R:R:W303 8.58 0 No Yes 6 8 2 1
R:R:I177 R:R:W182 5.87 1 Yes Yes 6 5 2 2
R:R:F201 R:R:I177 3.77 1 Yes Yes 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 1
R:R:F201 R:R:T203 7.78 1 Yes No 4 4 1 2
R:R:F201 R:R:Y207 6.19 1 Yes Yes 4 7 1 1
L:L:?5 R:R:F201 9.33 1 Yes Yes 0 4 0 1
R:R:T203 R:R:Y207 4.99 1 No Yes 4 7 2 1
R:R:N204 R:R:Y207 3.49 0 No Yes 5 7 2 1
R:R:S211 R:R:Y207 13.99 1 No Yes 6 7 1 1
L:L:?5 R:R:Y207 4.49 1 Yes Yes 0 7 0 1
L:L:?5 R:R:S211 8.06 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
R:R:F216 R:R:Y217 8.25 1 No Yes 7 5 2 2
R:R:F216 R:R:F307 33.22 1 No Yes 7 7 2 1
R:R:F307 R:R:Y217 3.09 1 Yes Yes 7 5 1 2
R:R:F299 R:R:W303 12.03 0 Yes Yes 9 8 2 1
R:R:F306 R:R:W303 5.01 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 12.67 0 No Yes 6 8 2 1
L:L:?5 R:R:W303 3.49 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 7.5 1 Yes No 7 4 1 2
R:R:F306 R:R:N329 8.46 1 Yes No 7 6 1 1
L:L:?5 R:R:F306 8.4 1 Yes Yes 0 7 0 1
L:L:?5 R:R:F307 7.47 1 Yes Yes 0 7 0 1
R:R:F325 R:R:N310 7.25 0 No No 4 6 2 1
L:L:?5 R:R:N310 11.58 1 Yes No 0 6 0 1
R:R:N329 R:R:Y333 13.96 1 No Yes 6 7 1 1
L:L:?5 R:R:N329 8.42 1 Yes No 0 6 0 1
R:R:W330 R:R:Y333 13.5 1 Yes Yes 6 7 2 1
L:L:?5 R:R:Y333 4.49 1 Yes Yes 0 7 0 1
R:R:P176 R:R:Y207 1.39 0 No Yes 7 7 2 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub6.00
Average Interaction Strength8.90
Average Nodes In Shell29.00
Average Hubs In Shell15.00
Average Links In Shell46.00
Average Links Mediated by Hubs In Shell44.00
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 Hub6.00
Average Interaction Strength8.90
Average Nodes In Shell29.00
Average Hubs In Shell15.00
Average Links In Shell46.00
Average Links Mediated by Hubs In Shell44.00

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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 🔍)