CodeJEU
NameOzanimod
Synonyms
  • Ozanimod
  • Ozanimodum
  • Ozanimod hydrochloride
Identifier5-[3-[(1~{S})-1-(2-hydroxyethylamino)-2,3-dihydro-1~{H}-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxy-benzenecarbonitrile
FormulaC23 H24 N4 O3
Molecular Weight404.462
SMILESCC(C)Oc1ccc(cc1C#N)c2nc(no2)c3cccc4c3CC[C@@H]4NCCO
PubChem52938427
Formal Charge0
Total Atoms54
Total Chiral Atoms1
Total Bonds57
Total Aromatic Bonds17
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
7EW0 A Lipid Lysophospholipid (S1P) S1P1 Homo sapiens Ozanimod - Gi1/Beta1/Gamma2 3.42 2021-09-29 10.1038/s41422-021-00566-x

A 2D representation of the interactions of JEU in 7EW0
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:K34 R:R:Y29 5.97 0 No Yes 6 7 1 2
R:R:W117 R:R:Y29 5.79 1 Yes Yes 9 7 2 2
L:L:?1 R:R:K34 3.17 1 Yes No 0 6 0 1
R:R:M124 R:R:Y98 2.39 0 No Yes 6 6 1 2
R:R:L297 R:R:Y98 4.69 1 Yes Yes 5 6 1 2
R:R:M124 R:R:N101 5.61 0 No No 6 5 1 2
R:R:E121 R:R:W117 11.99 1 Yes Yes 5 9 1 2
R:R:L195 R:R:W117 5.69 1 Yes Yes 3 9 1 2
R:R:E121 R:R:L195 3.98 1 Yes Yes 5 3 1 1
R:R:E121 R:R:Y198 7.86 1 Yes Yes 5 4 1 2
L:L:?1 R:R:E121 10.91 1 Yes Yes 0 5 0 1
L:L:?1 R:R:M124 5.29 1 Yes No 0 6 0 1
R:R:F125 R:R:Y202 5.16 1 No Yes 5 7 1 2
R:R:C206 R:R:F125 2.79 1 No No 6 5 1 1
L:L:?1 R:R:F125 25.52 1 Yes No 0 5 0 1
L:L:?1 R:R:L128 7.25 1 Yes No 0 6 0 1
L:L:?1 R:R:S129 3.37 1 Yes No 0 6 0 1
R:R:V132 R:R:W269 7.36 0 No Yes 7 8 2 1
R:R:L195 R:R:V194 4.47 1 Yes Yes 3 4 1 1
R:R:D279 R:R:V194 2.92 0 Yes Yes 4 4 2 1
L:L:?1 R:R:V194 3.34 1 Yes Yes 0 4 0 1
R:R:L195 R:R:Y198 4.69 1 Yes Yes 3 4 1 2
L:L:?1 R:R:L195 6.21 1 Yes Yes 0 3 0 1
R:R:C206 R:R:Y202 4.03 1 No Yes 6 7 1 2
R:R:I203 R:R:L276 5.71 0 No Yes 6 6 2 1
L:L:?1 R:R:C206 4.75 1 Yes No 0 6 0 1
R:R:F273 R:R:T207 2.59 1 Yes No 6 5 2 2
R:R:L276 R:R:T207 2.95 1 Yes No 6 5 1 2
R:R:F210 R:R:L214 2.44 1 Yes No 7 5 1 2
R:R:F210 R:R:W269 13.03 1 Yes Yes 7 8 1 1
R:R:F210 R:R:F273 5.36 1 Yes Yes 7 6 1 2
L:L:?1 R:R:F210 8.2 1 Yes Yes 0 7 0 1
R:R:F265 R:R:L214 3.65 1 No No 9 5 2 2
R:R:F265 R:R:W269 11.02 1 No Yes 9 8 2 1
R:R:L272 R:R:W269 3.42 1 Yes Yes 6 8 1 1
R:R:N303 R:R:W269 9.04 0 No Yes 9 8 2 1
L:L:?1 R:R:W269 4.26 1 Yes Yes 0 8 0 1
R:R:L272 R:R:L276 2.77 1 Yes Yes 6 6 1 1
R:R:L272 R:R:L297 2.77 1 Yes Yes 6 5 1 1
L:L:?1 R:R:L272 5.18 1 Yes Yes 0 6 0 1
R:R:D279 R:R:L276 2.71 0 Yes Yes 4 6 2 1
L:L:?1 R:R:L276 5.18 1 Yes Yes 0 6 0 1
L:L:?1 R:R:E294 2.97 1 Yes No 0 3 0 1
L:L:?1 R:R:L297 8.29 1 Yes Yes 0 5 0 1
R:R:A293 R:R:V194 1.7 0 No Yes 4 4 2 1
R:R:S192 R:R:V194 1.62 0 No Yes 4 4 2 1
R:R:A300 R:R:L272 1.58 1 No Yes 7 6 2 1
R:R:A300 R:R:L297 1.58 1 No Yes 7 5 2 1
L:L:?1 R:R:V209 1.11 1 Yes No 0 5 0 1
StatisticsValue
Average Number Of Links16.00
Average Number Of Links With An Hub8.00
Average Interaction Strength6.56
Average Nodes In Shell34.00
Average Hubs In Shell16.00
Average Links In Shell49.00
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 Links16.00
Average Number Of Links With An Hub8.00
Average Interaction Strength6.56
Average Nodes In Shell34.00
Average Hubs In Shell16.00
Average Links In Shell49.00
Average Links Mediated by Hubs In Shell46.00

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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 🔍)