CodeY9Q
Name2-[4-[(5,6-diphenylpyrazin-2-yl)-propan-2-yl-amino]butoxy]ethanoic acid
Synonyms
Identifier2-[4-[(5,6-diphenylpyrazin-2-yl)-propan-2-yl-amino]butoxy]ethanoic acid
FormulaC25 H29 N3 O3
Molecular Weight419.516
SMILESCC(C)N(CCCCOCC(=O)O)c1cnc(c(n1)c2ccccc2)c3ccccc3
PubChem9931891
Formal Charge0
Total Atoms60
Total Chiral Atoms0
Total Bonds62
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
8X79 A Lipid Prostanoid I2 Homo sapiens MRE-269 - Gs/Beta1/Gamma2 2.41 2024-03-06 10.1126/sciadv.adk5184

A 2D representation of the interactions of Y9Q in 8X79
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:V15 R:R:Y75 5.05 0 No Yes 3 7 2 1
R:R:P17 R:R:Y75 5.56 0 No Yes 5 7 2 1
R:R:R279 R:R:T19 9.06 0 Yes No 7 4 1 2
R:R:S20 R:R:V71 4.85 0 No No 8 7 2 1
R:R:F72 R:R:S20 5.28 4 Yes No 5 8 2 2
R:R:M23 R:R:R279 6.2 0 No Yes 7 7 2 1
R:R:F24 R:R:T64 3.89 4 Yes No 7 8 2 2
R:R:F24 R:R:S68 10.57 4 Yes Yes 7 8 2 1
R:R:F24 R:R:F72 10.72 4 Yes Yes 7 5 2 2
R:R:D60 R:R:S106 4.42 0 Yes No 9 9 2 1
R:R:D60 R:R:P285 4.83 0 Yes No 9 8 2 1
R:R:S68 R:R:T64 4.8 4 Yes No 8 8 1 2
R:R:F95 R:R:L67 3.65 4 Yes No 5 6 2 1
R:R:L67 R:R:M99 5.65 4 No No 6 7 1 1
L:L:?1 R:R:L67 11.83 4 Yes No 0 6 0 1
R:R:P69 R:R:S68 3.56 0 No Yes 8 8 2 1
R:R:F72 R:R:S68 5.28 4 Yes Yes 5 8 2 1
L:L:?1 R:R:S68 3.67 4 Yes Yes 0 8 0 1
L:L:?1 R:R:V71 5.45 4 Yes No 0 7 0 1
R:R:S168 R:R:Y75 11.45 0 No Yes 8 7 2 1
L:L:?1 R:R:Y75 2.86 4 Yes Yes 0 7 0 1
R:R:F95 R:R:M99 3.73 4 Yes No 5 7 2 1
R:R:F95 R:R:W169 3.01 4 Yes Yes 5 6 2 1
L:L:?1 R:R:M99 18.12 4 Yes No 0 7 0 1
L:L:?1 R:R:G103 3.13 4 Yes No 0 7 0 1
L:L:?1 R:R:S106 4.58 4 Yes No 0 9 0 1
R:R:M107 R:R:V192 4.56 4 Yes Yes 7 6 2 2
R:R:M107 R:R:Y281 4.79 4 Yes Yes 7 7 2 1
R:R:P166 R:R:S168 3.56 0 No No 7 8 2 2
R:R:P166 R:R:W169 12.16 0 No Yes 7 6 2 1
R:R:F171 R:R:W169 6.01 4 Yes Yes 7 6 2 1
R:R:L275 R:R:W169 5.69 0 No Yes 6 6 2 1
R:R:F278 R:R:W169 17.04 4 Yes Yes 6 6 1 1
L:L:?1 R:R:W169 9.73 4 Yes Yes 0 6 0 1
R:R:F171 R:R:F278 19.29 4 Yes Yes 7 6 2 1
R:R:V192 R:R:Y281 3.79 4 Yes Yes 6 7 2 1
R:R:S252 R:R:Y281 5.09 0 No Yes 8 7 2 1
R:R:N284 R:R:S252 4.47 0 Yes No 9 8 2 2
R:R:F278 R:R:L255 6.09 4 Yes No 6 7 1 2
R:R:L255 R:R:Y281 10.55 0 No Yes 7 7 2 1
R:R:L275 R:R:R279 4.86 0 No Yes 6 7 2 1
L:L:?1 R:R:F278 7.43 4 Yes Yes 0 6 0 1
L:L:?1 R:R:R279 5.93 4 Yes Yes 0 7 0 1
L:L:?1 R:R:Y281 12.16 4 Yes Yes 0 7 0 1
L:L:?1 R:R:A282 10.58 4 Yes No 0 7 0 1
R:R:N284 R:R:P285 8.15 0 Yes No 9 8 2 1
L:L:?1 R:R:P285 12.03 4 Yes No 0 8 0 1
R:R:V11 R:R:Y75 2.52 0 No Yes 4 7 2 1
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub6.00
Average Interaction Strength8.27
Average Nodes In Shell35.00
Average Hubs In Shell15.00
Average Links In Shell48.00
Average Links Mediated by Hubs In Shell45.00
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 Hub6.00
Average Interaction Strength8.27
Average Nodes In Shell35.00
Average Hubs In Shell15.00
Average Links In Shell48.00
Average Links Mediated by Hubs In Shell45.00

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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 🔍)