CodeJF9
NameN,N-dicyclohexyl-5-cyclopropyl-1,2-oxazole-3-carboxamide
Synonyms
Identifier~{N},~{N}-dicyclohexyl-5-cyclopropyl-1,2-oxazole-3-carboxamide
FormulaC19 H28 N2 O2
Molecular Weight316.438
SMILESc1c(onc1C(=O)N(C2CCCCC2)C3CCCCC3)C4CC4
PubChem17253208
Formal Charge0
Total Atoms51
Total Chiral Atoms0
Total Bonds54
Total Aromatic Bonds5
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
7EW4 A Lipid Lysophospholipid (S1P) S1P3 Homo sapiens CYM5541 - Gi1/Beta1/Gamma2 3.2 2021-09-29 10.1038/s41422-021-00567-w

A 2D representation of the interactions of JF9 in 7EW4
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:M118 R:R:Y92 9.58 0 Yes Yes 6 6 1 2
R:R:I284 R:R:Y92 6.04 0 No Yes 5 6 2 2
R:R:M118 R:R:N95 8.41 0 Yes No 6 6 1 2
L:L:?1 R:R:M118 4.27 5 Yes Yes 0 6 0 1
R:R:F119 R:R:Y196 9.28 5 Yes Yes 5 6 1 2
R:R:C200 R:R:F119 4.19 5 Yes Yes 6 5 1 1
L:L:?1 R:R:F119 10.1 5 Yes Yes 0 5 0 1
L:L:?1 R:R:L122 11.48 5 Yes No 0 6 0 1
L:L:?1 R:R:G123 3.87 5 Yes No 0 5 0 1
R:R:T126 R:R:W256 4.85 5 No Yes 7 8 1 1
L:L:?1 R:R:T126 3.34 5 Yes No 0 7 0 1
R:R:L168 R:R:Y196 5.86 5 No Yes 5 6 1 2
R:R:C200 R:R:L168 4.76 5 Yes No 6 5 1 1
L:L:?1 R:R:L168 3.13 5 Yes No 0 5 0 1
R:R:C200 R:R:Y196 6.72 5 Yes Yes 6 6 1 2
R:R:I197 R:R:I201 2.94 0 No No 6 4 2 1
L:L:?1 R:R:C200 7.18 5 Yes Yes 0 6 0 1
R:R:F260 R:R:I201 3.77 0 Yes No 6 4 2 1
L:L:?1 R:R:I201 3.23 5 Yes No 0 4 0 1
R:R:I203 R:R:I207 2.94 0 No No 5 7 1 2
L:L:?1 R:R:I203 4.31 5 Yes No 0 5 0 1
R:R:F204 R:R:W256 8.02 5 No Yes 7 8 1 1
R:R:F204 R:R:F260 7.5 5 No Yes 7 6 1 2
L:L:?1 R:R:F204 11.02 5 Yes No 0 7 0 1
R:R:F252 R:R:W256 8.02 0 No Yes 9 8 2 1
R:R:N290 R:R:W256 12.43 0 No Yes 9 8 2 1
L:L:?1 R:R:W256 6.01 5 Yes Yes 0 8 0 1
R:R:F263 R:R:L259 10.96 5 No Yes 6 6 1 1
R:R:I284 R:R:L259 4.28 0 No Yes 5 6 2 1
L:L:?1 R:R:L259 5.22 5 Yes Yes 0 6 0 1
L:L:?1 R:R:F263 12.86 5 Yes No 0 6 0 1
R:R:A287 R:R:L259 1.58 0 No Yes 7 6 2 1
R:R:M118 R:R:S117 1.53 0 Yes No 6 4 1 2
R:R:F119 R:R:G116 1.51 5 Yes No 5 6 1 2
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub5.00
Average Interaction Strength6.62
Average Nodes In Shell26.00
Average Hubs In Shell9.00
Average Links In Shell34.00
Average Links Mediated by Hubs In Shell32.00
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 Hub5.00
Average Interaction Strength6.62
Average Nodes In Shell26.00
Average Hubs In Shell9.00
Average Links In Shell34.00
Average Links Mediated by Hubs In Shell32.00

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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 🔍)