Code8VL
Name4-[2-[[(2R)-2-(4-bromanylnaphthalen-1-yl)propanoyl]amino]-4-cyano-phenyl]butanoic acid
Synonyms
Identifier4-[2-[[(2~{R})-2-(4-bromanylnaphthalen-1-yl)propanoyl]amino]-4-cyano-phenyl]butanoic acid
FormulaC24 H21 Br N2 O3
Molecular Weight465.339
SMILESC[C@H](c1ccc(c2c1cccc2)Br)C(=O)Nc3cc(ccc3CCCC(=O)O)C#N
PubChem135121352
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
5YHL A Lipid Prostanoid EP4 Homo sapiens PubChem 135121352 - - 4.2 2018-12-05 10.1038/s41589-018-0131-3

A 2D representation of the interactions of 8VL in 5YHL
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 3.95 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 5.08 0 No Yes 6 7 2 1
L:L:?1 R:R:P24 3.41 1 Yes Yes 0 7 0 1
R:R:I323 R:R:M27 4.37 0 No No 8 8 2 1
L:L:?1 R:R:T76 11.22 1 Yes No 0 8 0 1
L:L:?1 R:R:Y80 13.78 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 4.79 1 Yes No 0 8 0 1
R:R:Q164 R:R:W169 21.9 1 Yes Yes 7 5 2 1
R:R:F171 R:R:Q164 3.51 1 Yes Yes 6 7 2 2
R:R:T168 R:R:W169 4.85 0 No Yes 6 5 2 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 14.09 1 No Yes 6 5 1 1
L:L:?1 R:R:W169 7.88 1 Yes Yes 0 5 0 1
R:R:L312 R:R:N309 12.36 1 Yes No 6 2 1 2
R:R:L312 R:R:R316 4.86 1 Yes No 6 7 1 1
L:L:?1 R:R:L312 4.79 1 Yes Yes 0 6 0 1
L:L:?1 R:R:I315 9.87 1 Yes No 0 6 0 1
L:L:?1 R:R:R316 37.81 1 Yes No 0 7 0 1
L:L:?1 R:R:S319 12.46 1 Yes No 0 8 0 1
L:L:?1 R:R:V320 3.09 1 Yes No 0 5 0 1
R:R:L99 R:R:V72 2.98 0 No No 8 7 1 2
R:R:P20 R:R:Y80 2.78 0 No No 5 6 2 1
L:L:?1 R:R:M27 1.96 1 Yes No 0 8 0 1
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub3.00
Average Interaction Strength9.58
Average Nodes In Shell22.00
Average Hubs In Shell6.00
Average Links In Shell28.00
Average Links Mediated by Hubs In Shell24.00
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 Links12.00
Average Number Of Links With An Hub3.00
Average Interaction Strength9.58
Average Nodes In Shell22.00
Average Hubs In Shell6.00
Average Links In Shell28.00
Average Links Mediated by Hubs In Shell24.00

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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 🔍)