CodeQ4T
Name2-[2-[[3-[4-chloranyl-2-fluoranyl-5-[(3~{R})-piperidin-3-yl]oxy-phenyl]-2-fluoranyl-phenyl]carbonylamino]-5-fluoranyl-phenyl]ethanoic acid
Synonyms
Identifier2-[2-[[3-[4-chloranyl-2-fluoranyl-5-[(3~{R})-piperidin-3-yl]oxy-phenyl]-2-fluoranyl-phenyl]carbonylamino]-5-fluoranyl-phenyl]ethanoic acid
FormulaC26 H22 Cl F3 N2 O4
Molecular Weight518.912
SMILESc1cc(c(c(c1)C(=O)Nc2ccc(cc2CC(=O)O)F)F)c3cc(c(cc3F)Cl)O[C@@H]4CCCNC4
PubChem154585554
Formal Charge0
Total Atoms58
Total Chiral Atoms1
Total Bonds61
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
6Z10 A Alicarboxylic acid Succinate Succinate Rattus norvegicus PubChem 154585554 - - 2.27 2020-09-16 10.1021/acs.jmedchem.0c01020

A 2D representation of the interactions of Q4T in 6Z10
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 11.22 0 No Yes 2 4 2 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 12.52 5 No Yes 5 8 2 1
L:L:?1 R:R:Y26 6.45 1 Yes Yes 0 8 0 1
R:R:F68 R:R:L72 9.74 1 Yes No 7 7 2 2
R:R:F68 R:R:L98 4.87 1 Yes No 7 7 2 1
R:R:F280 R:R:F68 15 1 Yes Yes 7 7 1 2
L:L:?1 R:R:L75 10.38 1 Yes No 0 6 0 1
R:R:S78 R:R:W84 4.94 1 No Yes 5 8 1 1
L:L:?1 R:R:S78 4.5 1 Yes No 0 5 0 1
R:R:R276 R:R:Y79 5.14 1 Yes Yes 5 4 1 1
L:L:?1 R:R:Y79 19.34 1 Yes Yes 0 4 0 1
R:R:W84 R:R:Y86 11.58 1 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 1 Yes Yes 9 8 1 1
L:L:?1 R:R:W84 11.39 1 Yes Yes 0 8 0 1
R:R:C168 R:R:C91 7.28 1 Yes No 9 9 1 2
R:R:C168 R:R:R95 8.36 1 Yes Yes 9 6 1 1
R:R:D170 R:R:R95 5.96 0 Yes Yes 5 6 2 1
L:L:?1 R:R:R95 28.55 1 Yes Yes 0 6 0 1
R:R:F280 R:R:L98 7.31 1 Yes No 7 7 1 1
L:L:?1 R:R:L98 11.76 1 Yes No 0 7 0 1
R:R:L102 R:R:Y244 4.69 0 Yes Yes 7 6 2 1
R:R:F280 R:R:L102 9.74 1 Yes Yes 7 7 1 2
L:L:?1 R:R:C168 5.55 1 Yes Yes 0 9 0 1
R:R:D170 R:R:Y272 8.05 0 Yes Yes 5 5 2 2
R:R:H245 R:R:Y244 7.62 1 Yes Yes 8 6 2 1
R:R:R248 R:R:Y244 9.26 1 Yes Yes 6 6 2 1
R:R:T275 R:R:Y244 4.99 0 No Yes 7 6 2 1
L:L:?1 R:R:Y244 5.28 1 Yes Yes 0 6 0 1
R:R:H245 R:R:R248 6.77 1 Yes Yes 8 6 2 2
R:R:R248 R:R:Y272 5.14 1 Yes Yes 6 5 2 2
R:R:R276 R:R:Y272 14.4 1 Yes Yes 5 5 1 2
R:R:I273 R:R:R276 6.26 0 No Yes 4 5 2 1
L:L:?1 R:R:R276 15.79 1 Yes Yes 0 5 0 1
L:L:?1 R:R:F280 5.48 1 Yes Yes 0 7 0 1
R:R:A279 R:R:Y244 4 0 No Yes 8 6 2 1
R:R:I157 R:R:R95 3.76 0 No Yes 4 6 2 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
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub8.00
Average Interaction Strength11.32
Average Nodes In Shell31.00
Average Hubs In Shell16.00
Average Links In Shell42.00
Average Links Mediated by Hubs In Shell42.00
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 Hub8.00
Average Interaction Strength11.32
Average Nodes In Shell31.00
Average Hubs In Shell16.00
Average Links In Shell42.00
Average Links Mediated by Hubs In Shell42.00

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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 🔍)