CodeKAZ
Name2-[2-[[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]carbonylamino]phenyl]ethanoic acid
Synonyms
Identifier2-[2-[[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]carbonylamino]phenyl]ethanoic acid
FormulaC27 H29 N3 O3
Molecular Weight443.537
SMILESCN1CCN(CC1)Cc2ccc(cc2)c3cccc(c3)C(=O)Nc4ccccc4CC(=O)O
PubChem138811017
Formal Charge0
Total Atoms62
Total Chiral Atoms0
Total Bonds65
Total Aromatic Bonds18
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
6RNK A Alicarboxylic acid Succinate Succinate Rattus norvegicus NF-56-EJ40 - - 1.94 2019-08-14 10.1038/s41586-019-1663-8

A 2D representation of the interactions of KAZ in 6RNK
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:E18 R:R:Y79 12.35 4 No Yes 2 4 1 1
L:L:?1 R:R:E18 10.4 4 Yes No 0 2 0 1
R:R:L22 R:R:Y26 4.69 0 No Yes 6 8 2 1
R:R:L22 R:R:Y79 10.55 0 No Yes 6 4 2 1
R:R:L72 R:R:Y26 7.03 0 No Yes 7 8 2 1
R:R:P277 R:R:Y26 9.74 5 Yes Yes 5 8 2 1
L:L:?1 R:R:Y26 6.9 4 Yes Yes 0 8 0 1
L:L:?1 R:R:L75 10.87 4 Yes No 0 6 0 1
R:R:S78 R:R:W84 4.94 0 No Yes 5 8 2 1
R:R:R276 R:R:Y79 5.14 4 Yes Yes 5 4 1 1
L:L:?1 R:R:Y79 15.53 4 Yes Yes 0 4 0 1
R:R:W84 R:R:Y86 13.5 0 Yes Yes 8 7 1 2
R:R:N94 R:R:W84 4.52 0 No Yes 5 8 2 1
R:R:C168 R:R:W84 9.14 0 No Yes 9 8 2 1
L:L:?1 R:R:W84 8.94 4 Yes Yes 0 8 0 1
R:R:I157 R:R:R95 5.01 0 No Yes 4 6 2 1
R:R:C168 R:R:R95 6.96 0 No Yes 9 6 2 1
R:R:D170 R:R:R95 5.96 0 No Yes 5 6 2 1
L:L:?1 R:R:R95 26.23 4 Yes Yes 0 6 0 1
R:R:F280 R:R:L98 7.31 0 No No 7 7 2 1
L:L:?1 R:R:L98 12.23 4 Yes No 0 7 0 1
R:R:D170 R:R:Y272 8.05 0 No Yes 5 5 2 2
R:R:R276 R:R:Y272 13.38 4 Yes Yes 5 5 1 2
R:R:I273 R:R:R276 5.01 0 No Yes 4 5 2 1
L:L:?1 R:R:R276 11.92 4 Yes Yes 0 5 0 1
R:R:I76 R:R:Y26 2.42 0 No Yes 7 8 2 1
R:R:G87 R:R:W84 1.41 0 No Yes 8 8 2 1
L:L:?1 R:R:G82 0.84 4 Yes No 0 4 0 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub5.00
Average Interaction Strength11.54
Average Nodes In Shell24.00
Average Hubs In Shell9.00
Average Links In Shell28.00
Average Links Mediated by Hubs In Shell27.00
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 Links9.00
Average Number Of Links With An Hub5.00
Average Interaction Strength11.54
Average Nodes In Shell24.00
Average Hubs In Shell9.00
Average Links In Shell28.00
Average Links Mediated by Hubs In Shell27.00

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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 🔍)