Code9EU
Name4-ethynyl-3-{3-fluoro-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]benzene-1-carbonyl}-N,N-dimethyl-1H-indole-1-carboxamide
Synonyms
Identifier4-ethynyl-3-[3-fluoranyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]carbonyl-~{N},~{N}-dimethyl-indole-1-carboxamide
FormulaC28 H22 F N5 O2
Molecular Weight479.505
SMILESCc1nc2cnccc2n1Cc3ccc(cc3F)C(=O)c4cn(c5c4c(ccc5)C#C)C(=O)N(C)C
PubChem154087
Formal Charge0
Total Atoms58
Total Chiral Atoms0
Total Bonds62
Total Aromatic Bonds26
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
5ZKQ A Lipid Platelet-activating factor PAF Homo sapiens ABT-491 - - 2.9 2018-06-20 10.1038/s41594-018-0068-y

A 2D representation of the interactions of 9EU in 5ZKQ
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:R14 R:R:Y77 11.32 1 Yes Yes 4 6 2 1
R:R:F18 R:R:Y22 9.28 0 Yes Yes 5 8 2 1
R:R:F18 R:R:Y77 22.69 0 Yes Yes 5 6 2 1
R:R:F18 R:R:L279 7.31 0 Yes No 5 6 2 1
R:R:L70 R:R:Y22 7.03 0 No Yes 8 8 2 1
R:R:S283 R:R:Y22 11.45 0 No Yes 7 8 2 1
L:L:?1 R:R:Y22 5.98 1 Yes Yes 0 8 0 1
R:R:F66 R:R:L70 7.31 6 Yes No 7 8 2 2
R:R:F66 R:R:F97 7.5 6 Yes No 7 7 2 1
R:R:F66 R:R:S283 5.28 6 Yes No 7 7 2 2
R:R:W73 R:R:Y76 6.75 1 Yes Yes 7 6 1 2
R:R:C173 R:R:W73 6.53 1 Yes Yes 9 7 2 1
L:L:?1 R:R:W73 29.69 1 Yes Yes 0 7 0 1
R:R:Y76 R:R:Y77 10.92 1 Yes Yes 6 6 2 1
R:R:C173 R:R:Y76 5.38 1 Yes Yes 9 6 2 2
L:L:?1 R:R:Y77 8.64 1 Yes Yes 0 6 0 1
L:L:?1 R:R:F97 19.32 1 Yes No 0 7 0 1
R:R:F152 R:R:F98 9.65 1 No Yes 5 5 1 2
R:R:F152 R:R:F174 5.36 1 No Yes 5 4 1 1
L:L:?1 R:R:F152 13.11 1 Yes No 0 5 0 1
R:R:F174 R:R:S157 7.93 1 Yes Yes 4 5 1 2
L:L:?1 R:R:F174 9.66 1 Yes Yes 0 4 0 1
R:R:V184 R:R:Y177 6.31 0 No Yes 3 6 2 1
R:R:H188 R:R:Y177 5.44 1 Yes Yes 4 6 1 1
R:R:W255 R:R:Y177 5.79 1 Yes Yes 5 6 2 1
L:L:?1 R:R:Y177 11.29 1 Yes Yes 0 6 0 1
R:R:H188 R:R:Q252 7.42 1 Yes Yes 4 7 1 2
R:R:H188 R:R:T256 17.8 1 Yes No 4 5 1 2
L:L:?1 R:R:H188 13.11 1 Yes Yes 0 4 0 1
R:R:Q252 R:R:W255 6.57 0 Yes Yes 7 5 2 2
R:R:H275 R:R:W255 41.26 0 No Yes 5 5 2 2
R:R:H275 R:R:L279 10.29 0 No No 5 6 2 1
L:L:?1 R:R:L279 5.49 1 Yes No 0 6 0 1
R:R:A93 R:R:W73 3.89 0 No Yes 5 7 2 1
R:R:V21 R:R:Y22 3.79 0 No Yes 6 8 2 1
R:R:T69 R:R:W73 3.64 0 No Yes 6 7 2 1
R:R:F174 R:R:G94 3.01 1 Yes No 4 5 1 2
R:R:P19 R:R:Y77 2.78 0 No Yes 5 6 2 1
R:R:F174 R:R:L155 2.44 1 Yes No 4 5 1 2
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub6.00
Average Interaction Strength12.92
Average Nodes In Shell30.00
Average Hubs In Shell16.00
Average Links In Shell39.00
Average Links Mediated by Hubs In Shell38.00
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 Hub6.00
Average Interaction Strength12.92
Average Nodes In Shell30.00
Average Hubs In Shell16.00
Average Links In Shell39.00
Average Links Mediated by Hubs In Shell38.00

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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 🔍)