CodeJEX
Name5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
Synonyms
Identifier
FormulaC20 H10 F6 N2 O S
Molecular Weight440.362
SMILES
PubChem4077460
Formal Charge0
Total Atoms40
Total Chiral Atoms0
Total Bonds43
Total Aromatic Bonds22
Networks2
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This ligand is also present in the following 2 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
7EW7 A Lipid Lysophospholipid S1P1 Homo Sapiens SEW2871 - Gi1/Beta1/Gamma2 3.27 2021-09-29 doi.org/10.1038/s41422-021-00566-x

A 2D representation of the interactions of JEX in 7EW7
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
L:L:?1 R:R:N101 6.69 1 Yes No 0 5 0 1
L:L:?1 R:R:E121 12 1 Yes No 0 5 0 1
L:L:?1 R:R:M124 3.94 1 Yes Yes 0 6 0 1
L:L:?1 R:R:F125 22.05 1 Yes No 0 5 0 1
L:L:?1 R:R:L128 12.53 1 Yes No 0 6 0 1
L:L:?1 R:R:S129 3.14 1 Yes Yes 0 6 0 1
L:L:?1 R:R:V132 4.15 1 Yes No 0 7 0 1
L:L:?1 R:R:L195 16.38 1 Yes No 0 3 0 1
L:L:?1 R:R:F210 10.18 1 Yes No 0 7 0 1
L:L:?1 R:R:W269 5.55 1 Yes Yes 0 8 0 1
L:L:?1 R:R:L272 2.89 1 Yes No 0 6 0 1
L:L:?1 R:R:L276 8.67 1 Yes Yes 0 6 0 1
L:L:?1 R:R:L297 8.67 1 Yes No 0 5 0 1
R:R:M124 R:R:Y98 3.59 1 Yes Yes 6 6 1 2
R:R:N101 R:R:R120 12.05 1 No Yes 5 6 1 2
R:R:M124 R:R:N101 4.21 1 Yes No 6 5 1 1
R:R:R120 R:R:W117 7 0 Yes Yes 6 9 2 2
R:R:E121 R:R:W117 14.17 1 No Yes 5 9 1 2
R:R:W117 R:R:Y198 3.86 1 Yes Yes 9 4 2 2
R:R:E121 R:R:Y198 5.61 1 No Yes 5 4 1 2
R:R:F125 R:R:Y202 4.13 1 No Yes 5 7 1 2
R:R:C206 R:R:F125 2.79 1 Yes No 6 5 2 1
R:R:L128 R:R:W269 5.69 1 No Yes 6 8 1 1
R:R:F133 R:R:S129 3.96 0 Yes Yes 5 6 2 1
R:R:S129 R:R:S171 3.26 0 Yes No 6 8 1 2
R:R:L174 R:R:S129 3 1 No Yes 5 6 2 1
R:R:L213 R:R:V132 2.98 0 No No 8 7 2 1
R:R:V132 R:R:W269 2.45 1 No Yes 7 8 1 1
R:R:F133 R:R:L213 8.53 0 Yes No 5 8 2 2
R:R:L174 R:R:Y202 3.52 1 No Yes 5 7 2 2
R:R:C206 R:R:L174 4.76 1 Yes No 6 5 2 2
R:R:L195 R:R:V194 10.43 0 No Yes 3 4 1 2
R:R:Y198 R:R:Y202 3.97 1 Yes Yes 4 7 2 2
R:R:C206 R:R:Y202 6.72 1 Yes Yes 6 7 2 2
R:R:I203 R:R:L276 4.28 0 No Yes 6 6 2 1
R:R:L276 R:R:T207 4.42 1 Yes No 6 5 1 2
R:R:F210 R:R:W269 10.02 1 No Yes 7 8 1 1
R:R:F210 R:R:F273 7.5 1 No No 7 6 1 2
R:R:F265 R:R:W269 4.01 0 No Yes 9 8 2 1
R:R:N303 R:R:W269 10.17 0 No Yes 9 8 2 1
R:R:L272 R:R:L276 2.77 1 No Yes 6 6 1 1
R:R:A97 R:R:M124 1.61 0 No Yes 4 6 2 1
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub4.00
Average Interaction Strength8.99
Average Nodes In Shell31.00
Average Hubs In Shell13.00
Average Links In Shell42.00
Average Links Mediated by Hubs In Shell40.00
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 Hub4.00
Average Interaction Strength8.99
Average Nodes In Shell31.00
Average Hubs In Shell13.00
Average Links In Shell41.50
Average Links Mediated by Hubs In Shell39.50

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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 🔍)