CodeL74
Name3-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}-1H-pyrrolo[2,3-b]pyridine
Synonyms
Identifier3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1~{H}-pyrrolo[2,3-b]pyridine
FormulaC18 H19 Cl N4
Molecular Weight326.823
SMILESc1cc2c(c[nH]c2nc1)CN3CCN(CC3)c4ccc(cc4)Cl
PubChem3853
Formal Charge0
Total Atoms42
Total Chiral Atoms0
Total Bonds45
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
6IQL A Amine Dopamine D4 Mus musculus L745870 - - 3.5 2019-12-04 10.7554/eLife.48822

A 2D representation of the interactions of L74 in 6IQL
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:D112 R:R:V84 11.69 1 No No 8 8 1 2
R:R:L85 R:R:Y358 4.69 0 Yes Yes 8 8 2 1
R:R:E92 R:R:F88 9.33 0 No Yes 6 7 2 1
R:R:F88 R:R:T354 3.89 1 Yes No 7 6 1 2
R:R:F88 R:R:Y358 9.28 1 Yes Yes 7 8 1 1
L:L:?1 R:R:F88 5.39 1 Yes Yes 0 7 0 1
L:L:?1 R:R:S91 8.85 1 Yes No 0 6 0 1
R:R:L100 R:R:W98 9.11 0 No Yes 6 8 2 1
R:R:C105 R:R:W98 7.84 0 No Yes 9 8 2 1
L:L:?1 R:R:W98 8.39 1 Yes Yes 0 8 0 1
R:R:C105 R:R:M109 4.86 0 No No 9 6 2 1
L:L:?1 R:R:M109 4.17 1 Yes No 0 6 0 1
R:R:D112 R:R:Y358 12.64 1 No Yes 8 8 1 1
L:L:?1 R:R:D112 22.01 1 Yes No 0 8 0 1
R:R:A162 R:R:V113 3.39 0 No No 8 8 2 1
R:R:S191 R:R:V113 3.23 0 No No 8 8 2 1
L:L:?1 R:R:V113 3.29 1 Yes No 0 8 0 1
R:R:E183 R:R:V188 2.85 1 No No 6 6 2 2
R:R:E183 R:R:H334 8.62 1 No Yes 6 7 2 1
R:R:H334 R:R:V188 4.15 1 Yes No 7 6 1 2
R:R:F331 R:R:S192 6.61 1 Yes No 6 7 1 2
R:R:H334 R:R:S192 4.18 1 Yes No 7 7 1 2
R:R:F196 R:R:F331 22.51 0 Yes Yes 9 6 2 1
R:R:F330 R:R:W327 10.02 1 Yes Yes 8 9 1 2
R:R:F331 R:R:W327 4.01 1 Yes Yes 6 9 1 2
R:R:W327 R:R:Y358 3.86 1 Yes Yes 9 8 2 1
R:R:F330 R:R:F331 3.22 1 Yes Yes 8 6 1 1
R:R:F330 R:R:H334 7.92 1 Yes Yes 8 7 1 1
R:R:F330 R:R:V353 5.24 1 Yes No 8 5 1 2
R:R:F330 R:R:T354 6.49 1 Yes No 8 6 1 2
L:L:?1 R:R:F330 11.67 1 Yes Yes 0 8 0 1
L:L:?1 R:R:F331 4.49 1 Yes Yes 0 6 0 1
L:L:?1 R:R:H334 6.63 1 Yes Yes 0 7 0 1
L:L:?1 R:R:Y358 7.78 1 Yes Yes 0 8 0 1
R:R:F331 R:R:S195 2.64 1 Yes No 6 8 1 2
R:R:F88 R:R:V89 2.62 1 Yes No 7 7 1 2
R:R:L108 R:R:W98 2.28 0 No Yes 7 8 2 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub6.00
Average Interaction Strength8.27
Average Nodes In Shell28.00
Average Hubs In Shell10.00
Average Links In Shell37.00
Average Links Mediated by Hubs In Shell32.00
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 Links10.00
Average Number Of Links With An Hub6.00
Average Interaction Strength8.27
Average Nodes In Shell28.00
Average Hubs In Shell10.00
Average Links In Shell37.00
Average Links Mediated by Hubs In Shell32.00

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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 🔍)