CodeGM9
NameEvatanepag
Synonyms
  • Evatanepag Sodium
  • Evatanepag
Identifier2-[3-[[(4-~{tert}-butylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid
FormulaC25 H28 N2 O5 S
Molecular Weight468.565
SMILESCC(C)(C)c1ccc(cc1)CN(Cc2cccc(c2)OCC(=O)O)S(=O)(=O)c3cccnc3
PubChem9890801
Formal Charge0
Total Atoms61
Total Chiral Atoms0
Total Bonds63
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
7CX4 A Lipid Prostanoid EP2 Homo sapiens Evatanepag - Gs/Beta1/Gamma2 2.9 2021-05-05 10.1126/sciadv.abf1268

A 2D representation of the interactions of GM9 in 7CX4
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:P25 R:R:Y93 11.13 0 No No 5 7 2 1
R:R:I27 R:R:R302 12.53 0 No Yes 4 8 2 1
L:L:?1 R:R:S28 8.75 3 Yes No 0 7 0 1
R:R:M31 R:R:R302 3.72 3 No Yes 8 8 1 1
R:R:I306 R:R:M31 4.37 0 No No 4 8 2 1
L:L:?1 R:R:M31 9.27 3 Yes No 0 8 0 1
R:R:F32 R:R:S86 9.25 0 No No 8 8 2 1
R:R:G35 R:R:I309 7.05 0 No No 9 9 2 1
R:R:D78 R:R:T123 7.23 3 Yes No 9 8 2 1
R:R:D78 R:R:S308 7.36 3 Yes No 9 8 2 1
L:L:?1 R:R:T82 9.67 3 Yes No 0 8 0 1
R:R:F112 R:R:I85 3.77 3 Yes Yes 5 6 2 1
R:R:A115 R:R:I85 3.25 3 No Yes 5 6 2 1
R:R:I85 R:R:M116 5.83 3 Yes Yes 6 7 1 1
R:R:F119 R:R:I85 7.54 3 Yes Yes 8 6 2 1
L:L:?1 R:R:I85 5.2 3 Yes Yes 0 6 0 1
R:R:P87 R:R:S86 3.56 0 No No 7 8 2 1
L:L:?1 R:R:S86 5.47 3 Yes No 0 8 0 1
R:R:F112 R:R:V89 2.62 3 Yes No 5 7 2 1
R:R:T185 R:R:V89 3.17 3 Yes No 8 7 1 1
L:L:?1 R:R:V89 8.69 3 Yes No 0 7 0 1
R:R:T185 R:R:Y93 6.24 3 Yes No 8 7 1 1
L:L:?1 R:R:Y93 4.27 3 Yes No 0 7 0 1
R:R:F112 R:R:M116 3.73 3 Yes Yes 5 7 2 1
R:R:F112 R:R:W186 3.01 3 Yes Yes 5 7 2 1
R:R:A115 R:R:F119 2.77 3 No Yes 5 8 2 2
R:R:M116 R:R:S120 3.07 3 Yes No 7 7 1 2
R:R:F188 R:R:M116 4.98 3 Yes Yes 8 7 2 1
L:L:?1 R:R:M116 8.24 3 Yes Yes 0 7 0 1
R:R:S308 R:R:T123 3.2 3 No No 8 8 1 1
L:L:?1 R:R:T123 3.22 3 Yes No 0 8 0 1
R:R:W186 R:R:Y181 15.43 3 Yes Yes 7 8 1 2
R:R:F188 R:R:Y181 4.13 3 Yes Yes 8 8 2 2
R:R:D297 R:R:Y181 6.9 3 No Yes 6 8 2 2
R:R:P183 R:R:W186 9.46 0 No Yes 8 7 2 1
R:R:T185 R:R:W186 3.64 3 Yes Yes 8 7 1 1
L:L:?1 R:R:T185 4.3 3 Yes Yes 0 8 0 1
R:R:D297 R:R:W186 3.35 3 No Yes 6 7 2 1
R:R:L298 R:R:W186 4.56 3 Yes Yes 6 7 1 1
L:L:?1 R:R:W186 6.64 3 Yes Yes 0 7 0 1
R:R:L298 R:R:Q299 3.99 3 Yes No 6 4 1 2
R:R:L298 R:R:R302 12.15 3 Yes Yes 6 8 1 1
L:L:?1 R:R:L298 6.05 3 Yes Yes 0 6 0 1
L:L:?1 R:R:R302 9.74 3 Yes Yes 0 8 0 1
L:L:?1 R:R:S305 17.51 3 Yes No 0 8 0 1
L:L:?1 R:R:S308 6.57 3 Yes No 0 8 0 1
L:L:?1 R:R:I309 6.24 3 Yes No 0 9 0 1
StatisticsValue
Average Number Of Links16.00
Average Number Of Links With An Hub6.00
Average Interaction Strength7.49
Average Nodes In Shell33.00
Average Hubs In Shell12.00
Average Links In Shell47.00
Average Links Mediated by Hubs In Shell41.00
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 Links16.00
Average Number Of Links With An Hub6.00
Average Interaction Strength7.49
Average Nodes In Shell33.00
Average Hubs In Shell12.00
Average Links In Shell47.00
Average Links Mediated by Hubs In Shell41.00

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Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

missing image


Location of the nodes interacting with this ligand

(Click to enlarge 🔍)