Code7UR
Name4-[4-cyano-2-[[(2R)-2-(4-fluoranylnaphthalen-1-yl)propanoyl]amino]phenyl]butanoic acid
Synonyms
Identifier4-[4-cyano-2-[[(2~{R})-2-(4-fluoranylnaphthalen-1-yl)propanoyl]amino]phenyl]butanoic acid
FormulaC24 H21 F N2 O3
Molecular Weight404.434
SMILESC[C@H](c1ccc(c2c1cccc2)F)C(=O)Nc3cc(ccc3CCCC(=O)O)C#N
PubChem92978378
Formal Charge0
Total Atoms51
Total Chiral Atoms1
Total Bonds53
Total Aromatic Bonds17
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
5YWY A Lipid Prostanoid EP4 Homo sapiens ONO-AE3-208 - - 3.2 2018-12-05 10.1038/s41589-018-0131-3

A 2D representation of the interactions of 7UR in 5YWY
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:V21 R:R:Y80 3.79 0 No No 6 6 2 1
R:R:I23 R:R:P24 3.39 1 No Yes 6 7 1 1
L:L:?1 R:R:I23 3.87 1 Yes No 0 6 0 1
R:R:P24 R:R:T76 3.5 1 Yes No 7 8 1 1
R:R:I77 R:R:P24 3.39 0 No Yes 6 7 2 1
L:L:?1 R:R:P24 3.34 1 Yes Yes 0 7 0 1
R:R:I323 R:R:M27 4.37 0 No No 8 8 2 1
R:R:L99 R:R:V72 2.98 0 No No 8 7 1 2
L:L:?1 R:R:T76 10 1 Yes No 0 8 0 1
L:L:?1 R:R:Y80 11.93 1 Yes No 0 6 0 1
R:R:F171 R:R:L99 6.09 1 Yes No 6 8 2 1
L:L:?1 R:R:L99 4.69 1 Yes No 0 8 0 1
R:R:Q164 R:R:W169 23 1 Yes Yes 7 5 2 1
R:R:F171 R:R:Q164 4.68 1 Yes Yes 6 7 2 2
R:R:P166 R:R:T168 8.74 0 No No 6 6 2 1
R:R:T168 R:R:W169 4.85 1 No Yes 6 5 1 1
L:L:?1 R:R:T168 3 1 Yes No 0 6 0 1
R:R:F171 R:R:W169 5.01 1 Yes Yes 6 5 2 1
R:R:L312 R:R:W169 5.69 1 Yes Yes 6 5 1 1
R:R:I315 R:R:W169 12.92 1 No Yes 6 5 1 1
L:L:?1 R:R:W169 7.73 1 Yes Yes 0 5 0 1
R:R:L312 R:R:N309 13.73 1 Yes No 6 2 1 2
R:R:L312 R:R:R316 3.64 1 Yes No 6 7 1 1
L:L:?1 R:R:L312 4.69 1 Yes Yes 0 6 0 1
L:L:?1 R:R:I315 11.62 1 Yes No 0 6 0 1
L:L:?1 R:R:R316 39.56 1 Yes No 0 7 0 1
L:L:?1 R:R:S319 13.24 1 Yes No 0 8 0 1
L:L:?1 R:R:V320 3.03 1 Yes No 0 5 0 1
R:R:P20 R:R:Y80 2.78 0 No No 5 6 2 1
L:L:?1 R:R:M27 1.92 1 Yes No 0 8 0 1
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub3.00
Average Interaction Strength9.12
Average Nodes In Shell23.00
Average Hubs In Shell6.00
Average Links In Shell30.00
Average Links Mediated by Hubs In Shell25.00
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 Links13.00
Average Number Of Links With An Hub3.00
Average Interaction Strength9.12
Average Nodes In Shell23.00
Average Hubs In Shell6.00
Average Links In Shell30.00
Average Links Mediated by Hubs In Shell25.00

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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 🔍)