CodeGNO
NameTaprenepag
SynonymsTaprenepag
Identifier2-[3-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid
FormulaC24 H22 N4 O5 S
Molecular Weight478.52
SMILESc1cc(cc(c1)OCC(=O)O)CN(Cc2ccc(cc2)n3cccn3)S(=O)(=O)c4cccnc4
PubChem18376177
Formal Charge0
Total Atoms56
Total Chiral Atoms0
Total Bonds59
Total Aromatic Bonds23
Networks1
 missing image

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
7CX3 A Lipid Prostanoid EP2 Homo sapiens Taprenepag - Gs/Beta1/Gamma2 2.8 2021-05-05 10.1126/sciadv.abf1268

A 2D representation of the interactions of GNO in 7CX3
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 9.74 0 No No 5 7 2 1
R:R:I27 R:R:R302 7.52 0 No Yes 4 8 2 1
R:R:R302 R:R:S28 3.95 4 Yes No 8 7 1 1
L:L:?1 R:R:S28 7.97 4 Yes No 0 7 0 1
R:R:M31 R:R:R302 3.72 4 No Yes 8 8 1 1
R:R:I306 R:R:M31 2.92 0 No No 4 8 2 1
L:L:?1 R:R:M31 4.69 4 Yes No 0 8 0 1
R:R:F32 R:R:V36 3.93 4 Yes No 8 7 1 2
R:R:F32 R:R:T82 9.08 4 Yes No 8 8 1 1
R:R:F32 R:R:S86 17.18 4 Yes No 8 8 1 1
L:L:?1 R:R:F32 4.04 4 Yes Yes 0 8 0 1
R:R:G35 R:R:I309 7.05 0 No No 9 9 2 1
R:R:T82 R:R:V36 4.76 4 No No 8 7 1 2
R:R:D78 R:R:T123 5.78 0 Yes No 9 8 2 1
R:R:D78 R:R:S308 7.36 0 Yes No 9 8 2 1
R:R:F119 R:R:G81 10.54 4 Yes No 8 9 1 2
L:L:?1 R:R:T82 7.83 4 Yes No 0 8 0 1
R:R:A115 R:R:I85 3.25 4 No No 5 6 2 1
R:R:F119 R:R:I85 5.02 4 Yes No 8 6 1 1
L:L:?1 R:R:I85 7.58 4 Yes No 0 6 0 1
L:L:?1 R:R:S86 6.98 4 Yes No 0 8 0 1
R:R:F112 R:R:V89 3.93 0 Yes No 5 7 2 1
R:R:T185 R:R:V89 3.17 4 No No 8 7 1 1
L:L:?1 R:R:V89 7.91 4 Yes No 0 7 0 1
L:L:?1 R:R:Y93 3.89 4 Yes No 0 7 0 1
R:R:F112 R:R:M116 3.73 0 Yes Yes 5 7 2 1
R:R:F112 R:R:W186 3.01 0 Yes Yes 5 7 2 1
R:R:A115 R:R:F119 4.16 4 No Yes 5 8 2 1
R:R:F188 R:R:M116 3.73 4 Yes Yes 8 7 2 1
R:R:L301 R:R:M116 2.83 0 Yes Yes 7 7 2 1
L:L:?1 R:R:M116 6.57 4 Yes Yes 0 7 0 1
R:R:F118 R:R:F119 7.5 0 Yes Yes 7 8 2 1
L:L:?1 R:R:F119 4.04 4 Yes Yes 0 8 0 1
L:L:?1 R:R:T123 3.91 4 Yes No 0 8 0 1
R:R:W186 R:R:Y181 12.54 4 Yes Yes 7 8 1 2
R:R:F188 R:R:Y181 5.16 4 Yes Yes 8 8 2 2
R:R:D297 R:R:Y181 9.2 4 No Yes 6 8 2 2
R:R:P183 R:R:W186 12.16 4 No Yes 8 7 2 1
R:R:L298 R:R:P183 8.21 4 Yes No 6 8 1 2
L:L:?1 R:R:T185 5.87 4 Yes No 0 8 0 1
R:R:F188 R:R:W186 3.01 4 Yes Yes 8 7 2 1
R:R:D297 R:R:W186 4.47 4 No Yes 6 7 2 1
R:R:L298 R:R:W186 3.42 4 Yes Yes 6 7 1 1
R:R:L301 R:R:W186 3.42 0 Yes Yes 7 7 2 1
L:L:?1 R:R:W186 10.58 4 Yes Yes 0 7 0 1
R:R:L298 R:R:R302 12.15 4 Yes Yes 6 8 1 1
L:L:?1 R:R:L298 4.59 4 Yes Yes 0 6 0 1
R:R:Q299 R:R:R302 3.5 0 No Yes 4 8 2 1
L:L:?1 R:R:R302 3.23 4 Yes Yes 0 8 0 1
L:L:?1 R:R:S305 12.96 4 Yes No 0 8 0 1
L:L:?1 R:R:S308 9.97 4 Yes No 0 8 0 1
L:L:?1 R:R:I309 3.79 4 Yes No 0 9 0 1
R:R:P87 R:R:S86 1.78 0 No No 7 8 2 1
StatisticsValue
Average Number Of Links18.00
Average Number Of Links With An Hub6.00
Average Interaction Strength6.47
Average Nodes In Shell36.00
Average Hubs In Shell13.00
Average Links In Shell53.00
Average Links Mediated by Hubs In Shell46.00
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 Links18.00
Average Number Of Links With An Hub6.00
Average Interaction Strength6.47
Average Nodes In Shell36.00
Average Hubs In Shell13.00
Average Links In Shell53.00
Average Links Mediated by Hubs In Shell46.00

missing image


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 🔍)