CodeJEX
Name5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
Synonyms
Identifier5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
FormulaC20 H10 F6 N2 O S
Molecular Weight440.362
SMILESc1ccc(cc1)c2cc(sc2C(F)(F)F)c3nc(no3)c4cccc(c4)C(F)(F)F
PubChem4077460
Formal Charge0
Total Atoms40
Total Chiral Atoms0
Total Bonds43
Total Aromatic Bonds22
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
7EW7 A Lipid Lysophospholipid (S1P) S1P1 Homo sapiens PubChem 4077460 - Gi1/Beta1/Gamma2 3.27 2021-09-29 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
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
L:L:?1 R:R:N101 6.69 1 Yes No 0 5 0 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
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
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
L:L:?1 R:R:F125 22.05 1 Yes No 0 5 0 1
R:R:L128 R:R:W269 5.69 1 No Yes 6 8 1 1
L:L:?1 R:R:L128 12.53 1 Yes No 0 6 0 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
L:L:?1 R:R:S129 3.14 1 Yes Yes 0 6 0 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
L:L:?1 R:R:V132 4.15 1 Yes No 0 7 0 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
L:L:?1 R:R:L195 16.38 1 Yes No 0 3 0 1
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
L:L:?1 R:R:F210 10.18 1 Yes No 0 7 0 1
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
L:L:?1 R:R:W269 5.55 1 Yes Yes 0 8 0 1
R:R:L272 R:R:L276 2.77 1 No Yes 6 6 1 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: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 Shell42.00
Average Links Mediated by Hubs In Shell40.00

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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 🔍)